57525036
  -OEChem-05102407032D

 39 41  0     0  0  0  0  0  0999 V2000
    3.2247   -1.5170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0908   -3.0170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2247   -3.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2588   -3.2582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9659   -4.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0908   -2.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9568   -1.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9568   -0.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0908   -0.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8228   -0.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9568    1.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0908    0.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8228    0.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9568    2.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8228    2.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0908    2.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8228    3.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0908    3.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9568    4.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1438   -2.9023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4193   -2.6593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6600   -3.0978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8055   -5.0818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5648   -4.6434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4011   -4.0637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8395   -4.8230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6277   -3.3270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1688   -2.0996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5674   -1.4094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5538   -0.3270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3598   -0.3270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5538    1.2930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3598    1.2930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3598    2.6730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5538    2.6730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3598    4.2930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5538    4.2930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9568    5.1030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  4  6  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 31  1  0  0  0  0
 11 14  2  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 35  1  0  0  0  0
 17 19  2  0  0  0  0
 17 36  1  0  0  0  0
 18 20  2  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
57525036

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
309

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6IAAAAAAAAAAAAAAAAABgAAAAAAAwYAAAAAAAAAABQAAAHgAQAAAADCjBmAQwAILAAACIAiFSEAACAAAgAAAIiIEIAIgIIDKAlRGEIAAglgCIiAcYiMCOwAAAAAAAAACAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-cyclobutyl-2-(4-phenylphenyl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-cyclobutyl-2-(4-phenylphenyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-cyclobutyl-2-(4-phenylphenyl)acetamide

> <PUBCHEM_IUPAC_NAME>
N-cyclobutyl-2-(4-phenylphenyl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-cyclobutyl-2-(4-phenylphenyl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-cyclobutyl-2-(4-phenylphenyl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H19NO/c20-18(19-17-7-4-8-17)13-14-9-11-16(12-10-14)15-5-2-1-3-6-15/h1-3,5-6,9-12,17H,4,7-8,13H2,(H,19,20)

> <PUBCHEM_IUPAC_INCHIKEY>
ZAMVIMIKYOABNX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
265.146664230

> <PUBCHEM_MOLECULAR_FORMULA>
C18H19NO

> <PUBCHEM_MOLECULAR_WEIGHT>
265.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(C1)NC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC(C1)NC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3

> <PUBCHEM_CACTVS_TPSA>
29.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
265.146664230

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  13  8
11  14  8
12  13  8
12  14  8
15  16  8
15  17  8
16  18  8
17  19  8
18  20  8
19  20  8
9  10  8
9  11  8

$$$$