69331622
  -OEChem-05042406502D

 60 61  0     0  0  0  0  0  0999 V2000
    6.0010    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    5.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8078   -3.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4092   -2.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5866   -4.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9851   -5.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7206   -2.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1191   -3.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6738   -5.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2753   -4.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4432   -6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6832   -6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3871    4.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9885    3.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    2.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6772    3.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0757    4.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6412    5.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0212    6.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 24  1  0  0  0  0
  2 16  2  0  0  0  0
  3 21  2  0  0  0  0
  4 23  1  0  0  0  0
  4 30  1  0  0  0  0
  5 11  1  0  0  0  0
  5 16  1  0  0  0  0
  5 39  1  0  0  0  0
  6 14  1  0  0  0  0
  6 16  1  0  0  0  0
  6 44  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 49  1  0  0  0  0
  8 29  1  0  0  0  0
  8 59  1  0  0  0  0
  8 60  1  0  0  0  0
  9 10  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 12  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 17  2  0  0  0  0
 14 19  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 21  1  0  0  0  0
 17 43  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
 19 45  1  0  0  0  0
 20 46  1  0  0  0  0
 22 23  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 52  1  0  0  0  0
 26 28  2  0  0  0  0
 26 53  1  0  0  0  0
 27 29  2  0  0  0  0
 27 54  1  0  0  0  0
 28 29  1  0  0  0  0
 28 55  1  0  0  0  0
 30 56  1  0  0  0  0
 30 57  1  0  0  0  0
 30 58  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69331622

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
511

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
11

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQAAAADAzhmAYzxoLABACIAiVSUACCCAAlIgAIiIEObMiOJjbEtZuHOWju9hPY6ae8yCCOAEAAQAAIAAAAgACAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(4-aminophenoxy)-N-(2-methoxyethyl)-5-(pentylcarbamoylamino)benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(4-aminophenoxy)-N-(2-methoxyethyl)-5-[[oxo-(pentylamino)methyl]amino]benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(4-aminophenoxy)-<I>N</I>-(2-methoxyethyl)-5-(pentylcarbamoylamino)benzamide

> <PUBCHEM_IUPAC_NAME>
2-(4-aminophenoxy)-N-(2-methoxyethyl)-5-(pentylcarbamoylamino)benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(4-azanylphenoxy)-N-(2-methoxyethyl)-5-(pentylcarbamoylamino)benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(4-aminophenoxy)-5-(amylcarbamoylamino)-N-(2-methoxyethyl)benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H30N4O4/c1-3-4-5-12-25-22(28)26-17-8-11-20(30-18-9-6-16(23)7-10-18)19(15-17)21(27)24-13-14-29-2/h6-11,15H,3-5,12-14,23H2,1-2H3,(H,24,27)(H2,25,26,28)

> <PUBCHEM_IUPAC_INCHIKEY>
CCIJFIBPUJGDKM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
414.22670545

> <PUBCHEM_MOLECULAR_FORMULA>
C22H30N4O4

> <PUBCHEM_MOLECULAR_WEIGHT>
414.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCNC(=O)NC1=CC(=C(C=C1)OC2=CC=C(C=C2)N)C(=O)NCCOC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCNC(=O)NC1=CC(=C(C=C1)OC2=CC=C(C=C2)N)C(=O)NCCOC

> <PUBCHEM_CACTVS_TPSA>
115

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
414.22670545

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <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  19  8
15  17  8
15  18  8
18  20  8
19  20  8
24  25  8
24  26  8
25  27  8
26  28  8
27  29  8
28  29  8

$$$$