44285898
  -OEChem-10101305022D

 39 40  0     1  0  0  0  0  0999 V2000
    8.6704   -0.5784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5826    2.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7736    1.1816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3916    1.1816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0826    0.2306    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1316   -0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3884    0.5907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0826   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4374    0.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0826    0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942    0.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5826    1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2166   -1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9486   -1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431    0.6418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2166   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9486   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0826   -2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6430   -0.4601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4226   -0.6259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8770    0.9724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0973    1.1381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9488   -0.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7284   -0.2658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1839    1.3732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1828    1.3325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4031    1.4982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9813    1.3732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6796   -0.9594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4856   -0.9594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2546    0.2601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0342    0.0944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6796   -2.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4856   -2.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4149    1.7717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5392    1.7258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851    0.8502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0826   -3.3894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 12  2  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  3 26  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 11 15  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 13 16  1  0  0  0  0
 13 30  1  0  0  0  0
 14 17  2  0  0  0  0
 14 31  1  0  0  0  0
 15 18  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 19  2  0  0  0  0
 16 34  1  0  0  0  0
 17 19  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
44285898

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
337

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHgAQAAAADIiBmAAzAILAAACIAiFSEACCAAAgAAAIiAGABIiIYDKAlTGUIAholSIIiAcYiMCOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-hexyl-5-phenyl-imidazolidine-2,4-dione

> <PUBCHEM_IUPAC_CAS_NAME>
5-hexyl-5-phenylimidazolidine-2,4-dione

> <PUBCHEM_IUPAC_NAME>
5-hexyl-5-phenylimidazolidine-2,4-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-hexyl-5-phenyl-imidazolidine-2,4-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-hexyl-5-phenyl-hydantoin

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H20N2O2/c1-2-3-4-8-11-15(12-9-6-5-7-10-12)13(18)16-14(19)17-15/h5-7,9-10H,2-4,8,11H2,1H3,(H2,16,17,18,19)

> <PUBCHEM_IUPAC_INCHIKEY>
QUCQUPBUCULYGF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
3.5

> <PUBCHEM_EXACT_MASS>
260.152478

> <PUBCHEM_MOLECULAR_FORMULA>
C15H20N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
260.3315

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCC1(C(=O)NC(=O)N1)C2=CC=CC=C2

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCC1(C(=O)NC(=O)N1)C2=CC=CC=C2

> <PUBCHEM_CACTVS_TPSA>
58.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
260.152478

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
5

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  16  8
14  17  8
16  19  8
17  19  8
5  6  3
8  13  8
8  14  8

$$$$