60207686
  -OEChem-05032419112D

 57 58  0     0  0  0  0  0  0999 V2000
    7.7331    4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890   -0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3905   -0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0791   -0.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4776   -0.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131   -2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116   -1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6550    1.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2565    0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9230   -1.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244   -2.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3437    5.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9451    5.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    4.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2565    5.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6550    5.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -4.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    2.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -6.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4871    6.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    7.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2471    6.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -7.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 18  1  0  0  0  0
  2 12  2  0  0  0  0
  3 13  2  0  0  0  0
  4 10  1  0  0  0  0
  4 13  1  0  0  0  0
  4 39  1  0  0  0  0
  5 12  1  0  0  0  0
  5 16  1  0  0  0  0
  5 40  1  0  0  0  0
  6 19  1  0  0  0  0
  6 56  1  0  0  0  0
  6 57  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 10  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 11  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  2  0  0  0  0
 15 20  2  0  0  0  0
 16 19  1  0  0  0  0
 16 22  2  0  0  0  0
 17 23  1  0  0  0  0
 17 41  1  0  0  0  0
 18 21  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 25  2  0  0  0  0
 20 24  1  0  0  0  0
 20 44  1  0  0  0  0
 21 27  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 26  1  0  0  0  0
 22 47  1  0  0  0  0
 23 24  2  0  0  0  0
 23 48  1  0  0  0  0
 24 49  1  0  0  0  0
 25 28  1  0  0  0  0
 25 50  1  0  0  0  0
 26 28  2  0  0  0  0
 26 51  1  0  0  0  0
 27 52  1  0  0  0  0
 27 53  1  0  0  0  0
 27 54  1  0  0  0  0
 28 55  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60207686

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
472

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
11

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQAAAADAzhmAYyxoLABACIAiVSUACCCAAlIgAIiIEOfMgMZjbEtZuWOWjm9hHI6YeYyCCOAAAAAAAIACAAAAAAABAAQAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H29N3O3/c1-2-16-28-20-13-8-5-10-17(20)22(27)24-15-9-3-4-14-21(26)25-19-12-7-6-11-18(19)23/h5-8,10-13H,2-4,9,14-16,23H2,1H3,(H,24,27)(H,25,26)

> <PUBCHEM_IUPAC_INCHIKEY>
NUCXGFUQELJMBC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
383.22089180

> <PUBCHEM_MOLECULAR_FORMULA>
C22H29N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
383.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCOC1=CC=CC=C1C(=O)NCCCCCC(=O)NC2=CC=CC=C2N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCOC1=CC=CC=C1C(=O)NCCCCCC(=O)NC2=CC=CC=C2N

> <PUBCHEM_CACTVS_TPSA>
93.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
383.22089180

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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  15  8
14  17  8
15  20  8
16  19  8
16  22  8
17  23  8
19  25  8
20  24  8
22  26  8
23  24  8
25  28  8
26  28  8

$$$$