60207691
  -OEChem-04262418092D

 51 52  0     0  0  0  0  0  0999 V2000
    6.0010   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890    0.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3905   -0.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0791   -0.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4776    0.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131   -1.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116   -0.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6550    2.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2565    1.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9230   -0.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244   -1.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -4.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    5.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3531    6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1131    6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 13  2  0  0  0  0
  3 17  1  0  0  0  0
  3 26  1  0  0  0  0
  4 10  1  0  0  0  0
  4 13  1  0  0  0  0
  4 37  1  0  0  0  0
  5 12  1  0  0  0  0
  5 15  1  0  0  0  0
  5 38  1  0  0  0  0
  6 16  1  0  0  0  0
  6 47  1  0  0  0  0
  6 48  1  0  0  0  0
  7  8  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 10  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 11  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 13 14  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 16  1  0  0  0  0
 15 19  2  0  0  0  0
 16 21  2  0  0  0  0
 17 20  2  0  0  0  0
 18 22  1  0  0  0  0
 18 39  1  0  0  0  0
 19 23  1  0  0  0  0
 19 40  1  0  0  0  0
 20 24  1  0  0  0  0
 20 41  1  0  0  0  0
 21 25  1  0  0  0  0
 21 42  1  0  0  0  0
 22 24  2  0  0  0  0
 22 43  1  0  0  0  0
 23 25  2  0  0  0  0
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 46  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
 26 51  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60207691

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
444

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQAAAADAzBmAYyxoLABACIAiVSUACCCAAlIgAIiIEOfMgMZjbEtZuUMWhm9hHI6YeYyCCOAAAAAAAIACAAAAAAABAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[6-(2-aminoanilino)-6-oxo-hexyl]-2-methoxy-benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[6-(2-aminoanilino)-6-oxohexyl]-2-methoxybenzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[6-(2-aminoanilino)-6-oxohexyl]-2-methoxybenzamide

> <PUBCHEM_IUPAC_NAME>
N-[6-(2-aminoanilino)-6-oxohexyl]-2-methoxybenzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[6-[(2-aminophenyl)amino]-6-oxidanylidene-hexyl]-2-methoxy-benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[6-(2-aminoanilino)-6-keto-hexyl]-2-methoxy-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H25N3O3/c1-26-18-12-7-4-9-15(18)20(25)22-14-8-2-3-13-19(24)23-17-11-6-5-10-16(17)21/h4-7,9-12H,2-3,8,13-14,21H2,1H3,(H,22,25)(H,23,24)

> <PUBCHEM_IUPAC_INCHIKEY>
JMUMXGQTHLXJQC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
355.18959167

> <PUBCHEM_MOLECULAR_FORMULA>
C20H25N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
355.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=CC=C1C(=O)NCCCCCC(=O)NC2=CC=CC=C2N

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=CC=C1C(=O)NCCCCCC(=O)NC2=CC=CC=C2N

> <PUBCHEM_CACTVS_TPSA>
93.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
355.18959167

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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>
14  17  8
14  18  8
15  16  8
15  19  8
16  21  8
17  20  8
18  22  8
19  23  8
20  24  8
21  25  8
22  24  8
23  25  8

$$$$