68541375
  -OEChem-05102421182D

 43 45  0     1  0  0  0  0  0999 V2000
    7.2641   -0.9827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.4827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.5173    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5321    0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3856   -0.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7841   -1.5653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2607    0.9923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4637    0.9923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4637   -1.9576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2607   -1.9576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3388   -0.0903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9403    0.5999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9403   -1.5653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3388   -0.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    0.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0181    1.5173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7781    1.5173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -1.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -2.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.3502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  2 33  1  0  0  0  0
  3 15  2  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 22  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  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 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 34  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 16  1  0  0  0  0
 14 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 40  1  0  0  0  0
 19 21  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  2  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68541375

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
351

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx8AAAHgAQAAAADSjBngQ+wPLIEACoAzV3VACCgCAxAiAI2KE4ZJgIIPLAlZGEIAhglgDIyAcciMCOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-cyclohexyl-2-(3-quinolyl)propanamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-cyclohexyl-2-(3-quinolinyl)propanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-cyclohexyl-2-quinolin-3-ylpropanamide

> <PUBCHEM_IUPAC_NAME>
N-cyclohexyl-2-quinolin-3-ylpropanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-cyclohexyl-2-quinolin-3-yl-propanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-cyclohexyl-2-(3-quinolyl)propionamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H22N2O/c1-13(18(21)20-16-8-3-2-4-9-16)15-11-14-7-5-6-10-17(14)19-12-15/h5-7,10-13,16H,2-4,8-9H2,1H3,(H,20,21)

> <PUBCHEM_IUPAC_INCHIKEY>
BLQAXOPAEDMZED-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
282.173213330

> <PUBCHEM_MOLECULAR_FORMULA>
C18H22N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
282.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C1=CC2=CC=CC=C2N=C1)C(=O)NC3CCCCC3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C1=CC2=CC=CC=C2N=C1)C(=O)NC3CCCCC3

> <PUBCHEM_CACTVS_TPSA>
42

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
282.173213330

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
11  13  3
12  14  8
12  15  8
14  16  8
16  17  8
16  18  8
17  19  8
18  20  8
19  21  8
20  21  8
3  15  8
3  17  8

$$$$