60511
  -OEChem-05072411462D

 40 41  0     1  0  0  0  0  0999 V2000
    2.5369    0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.3100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2690   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2690   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7690    0.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    1.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7690    0.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7690    2.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2690    1.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7690    2.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1613   -0.9206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8516   -0.5221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2690    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6490   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2690   -0.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6490    1.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0790    0.0191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0135    2.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6150    2.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4590    2.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8890    1.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0790    2.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  4  1  0  0  0  0
  2 11  1  0  0  0  0
  2 26  1  0  0  0  0
  3 16  1  0  0  0  0
  3 39  1  0  0  0  0
  3 40  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 27  1  0  0  0  0
 10 15  2  0  0  0  0
 10 28  1  0  0  0  0
 11 16  1  0  0  0  0
 12 18  1  0  0  0  0
 12 29  1  0  0  0  0
 13 19  2  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 17  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 20  2  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60511

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
306

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQAAAADIjBmAQyAILAAACIAiFSEACCAAAgAAAIiICABIgIYCKAkRGUIAhglACIiAcQgMAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-amino-N-(1-methyl-1,2-diphenyl-ethyl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-amino-N-(1,2-diphenylpropan-2-yl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-amino-<I>N</I>-(1,2-diphenylpropan-2-yl)acetamide

> <PUBCHEM_IUPAC_NAME>
2-amino-N-(1,2-diphenylpropan-2-yl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-azanyl-N-(1,2-diphenylpropan-2-yl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-amino-N-(1-methyl-1,2-diphenyl-ethyl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H20N2O/c1-17(19-16(20)13-18,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11H,12-13,18H2,1H3,(H,19,20)

> <PUBCHEM_IUPAC_INCHIKEY>
YSGASDXSLKIKOD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.3

> <PUBCHEM_EXACT_MASS>
268.157563266

> <PUBCHEM_MOLECULAR_FORMULA>
C17H20N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
268.35

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(CC1=CC=CC=C1)(C2=CC=CC=C2)NC(=O)CN

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(CC1=CC=CC=C1)(C2=CC=CC=C2)NC(=O)CN

> <PUBCHEM_CACTVS_TPSA>
55.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
268.157563266

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  15  8
12  18  8
13  19  8
14  17  8
15  17  8
18  20  8
19  20  8
4  7  3
6  10  8
6  9  8
8  12  8
8  13  8
9  14  8

$$$$