70392615
  -OEChem-05052415522D

 43 44  0     1  0  0  0  0  0999 V2000
    8.9073    2.5580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5772   -1.9420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753    2.5580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945   -2.2784    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4945   -3.1444    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6636   -1.5353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4727   -2.9365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4432   -1.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0878   -4.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4432   -0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3092    0.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3092    1.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753   -0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753    1.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0413    0.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0413    1.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0413    3.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0413    4.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6568   -2.7984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8754   -3.1769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9736   -0.9983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1621   -1.1708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -3.5531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0927   -2.9365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6553   -2.0246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   -1.3344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0648   -1.5573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -2.1091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9352   -2.7905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5214   -3.8058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8356   -4.6244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -4.3102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2312    0.1406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8326   -0.5497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7723    1.3680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753   -1.0620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5782   -0.2520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5782    1.3680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6383    2.8680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6613    4.0580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0413    4.6780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4213    4.0580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3 15  1  0  0  0  0
  3 18  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  9  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 11  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 36  1  0  0  0  0
 14 16  2  0  0  0  0
 14 37  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70392615

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
295

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHgAQAAAADQjBmAQywIPAAACIAiVSUACCAAAhAgAIiAAIZIgIICLAkZGEIAhglADIyAcQgIAOgAAAQAAAAAAAAACAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[3-[2-(3,4-dimethyl-1-pyrrolidinyl)ethyl]phenyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]acetamide

> <PUBCHEM_IUPAC_NAME>
N-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]phenyl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[3-[2-(3,4-dimethylpyrrolidino)ethyl]phenyl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H24N2O/c1-12-10-18(11-13(12)2)8-7-15-5-4-6-16(9-15)17-14(3)19/h4-6,9,12-13H,7-8,10-11H2,1-3H3,(H,17,19)

> <PUBCHEM_IUPAC_INCHIKEY>
ZGURFUVZRUHDAO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
260.188863393

> <PUBCHEM_MOLECULAR_FORMULA>
C16H24N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
260.37

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CN(CC1C)CCC2=CC(=CC=C2)NC(=O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1CN(CC1C)CCC2=CC(=CC=C2)NC(=O)C

> <PUBCHEM_CACTVS_TPSA>
32.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
260.188863393

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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>
12  13  8
12  14  8
13  15  8
14  16  8
15  17  8
16  17  8
4  9  3
5  10  3

$$$$