5311
  -OEChem-05052415202D

 39 39  0     0  0  0  0  0  0999 V2000
    4.5981   -2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    5.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    1.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    0.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    0.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    1.2027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -0.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -0.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    2.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    1.9873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -1.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    2.0124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    2.7027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -5.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    5.4050    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  5  1  0  0  0  0
  3 39  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
  4 32  1  0  0  0  0
  5 13  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 11  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 12  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 13  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 34  1  0  0  0  0
 16 18  2  0  0  0  0
 16 35  1  0  0  0  0
 17 19  2  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5311

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
276

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAUCAAACAiBkAAwwILQAACIACVSUACCAAAhAgAoiAEAZIgIIDLAkZGEIAhglADIyAcYiICAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
8-(hydroxyamino)-8-oxo-N-phenyl-octanamide

> <PUBCHEM_IUPAC_CAS_NAME>
N'-hydroxy-N-phenyloctanediamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>&apos;-hydroxy-<I>N</I>-phenyloctanediamide

> <PUBCHEM_IUPAC_NAME>
N'-hydroxy-N-phenyloctanediamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N'-oxidanyl-N-phenyl-octanediamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
8-(hydroxyamino)-8-keto-N-phenyl-caprylamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)

> <PUBCHEM_IUPAC_INCHIKEY>
WAEXFXRVDQXREF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
1.9

> <PUBCHEM_EXACT_MASS>
264.14739250

> <PUBCHEM_MOLECULAR_FORMULA>
C14H20N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
264.32

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO

> <PUBCHEM_CACTVS_TPSA>
78.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
264.14739250

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
12

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
14  15  8
14  16  8
15  17  8
16  18  8
17  19  8
18  19  8

$$$$