55931970
  -OEChem-05142400112D

 50 52  0     0  0  0  0  0  0999 V2000
   10.5109    0.6488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    0.6488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -1.8512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -0.8512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -0.3512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3769    1.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2905    0.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4814    2.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9596    1.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4596    2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448   -0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3769   -0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3769   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109   -2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -0.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    0.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4612   -1.7361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8569    1.4865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9804    0.2051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7920    0.3776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4166    2.7599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8614    2.1433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3744    1.0244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4612    1.8496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0260    2.6034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2680    2.9409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9138   -0.5412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1774    0.1237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3803    0.1237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1079   -2.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9138   -2.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109   -2.9712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -1.4712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7822   -1.3262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5793   -1.3262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.2688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9389    1.0582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8548   -1.6072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3323   -2.3426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0677   -1.8650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478    1.4176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 12  1  0  0  0  0
  2 19  2  0  0  0  0
  3 23  1  0  0  0  0
  3 26  1  0  0  0  0
  4 22  2  0  0  0  0
  5 15  1  0  0  0  0
  5 19  1  0  0  0  0
  5 42  1  0  0  0  0
  6 20  1  0  0  0  0
  6 22  1  0  0  0  0
  6 45  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
  8 10  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 11  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 18  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  2  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 50  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
55931970

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
478

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAAaIAAAAwAAAAAAAAAAABwAAAHgAQAAAADBThmAYyBoLABECIAqlSkACCCAAkIAAIiIGODMgMZj6MtTuWOWjm9hGIqYe/wCAOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-[[2-(cyclopentoxy)phenyl]methylamino]-2-oxo-ethyl]-2-methyl-furan-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-[(2-cyclopentyloxyphenyl)methylamino]-2-oxoethyl]-2-methyl-3-furancarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2-[(2-cyclopentyloxyphenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[2-[(2-cyclopentyloxyphenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-[(2-cyclopentyloxyphenyl)methylamino]-2-oxidanylidene-ethyl]-2-methyl-furan-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-[[2-(cyclopentoxy)benzyl]amino]-2-keto-ethyl]-2-methyl-3-furamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H24N2O4/c1-14-17(10-11-25-14)20(24)22-13-19(23)21-12-15-6-2-5-9-18(15)26-16-7-3-4-8-16/h2,5-6,9-11,16H,3-4,7-8,12-13H2,1H3,(H,21,23)(H,22,24)

> <PUBCHEM_IUPAC_INCHIKEY>
WBPQHHRZELZBHN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
356.17360725

> <PUBCHEM_MOLECULAR_FORMULA>
C20H24N2O4

> <PUBCHEM_MOLECULAR_WEIGHT>
356.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C=CO1)C(=O)NCC(=O)NCC2=CC=CC=C2OC3CCCC3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C=CO1)C(=O)NCC(=O)NCC2=CC=CC=C2OC3CCCC3

> <PUBCHEM_CACTVS_TPSA>
80.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
356.17360725

> <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>
12  13  8
12  14  8
13  16  8
14  17  8
16  18  8
17  18  8
21  23  8
21  24  8
24  26  8
3  23  8
3  26  8

$$$$