60383458
  -OEChem-05052414442D

 40 41  0     1  0  0  0  0  0999 V2000
    8.0052    3.5684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.0194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.4806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0194    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3871    3.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962    4.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962    4.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    1.0175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.7906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881   -0.0564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    1.3980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    2.0882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    1.7906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.7094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7975    3.3768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -4.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.1394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3317    5.0210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0606    5.0210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.4825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.5564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 21  1  0  0  0  0
  2  8  2  0  0  0  0
  3 14  1  0  0  0  0
  3 22  1  0  0  0  0
  4 11  2  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 13  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  2  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 31  1  0  0  0  0
 16 20  1  0  0  0  0
 16 32  1  0  0  0  0
 17 19  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  2  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 21  2  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60383458

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
388

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABwAAAHgAQAAAADCzhmAYyBoLABECIAqlSkACCCAAkIAAIiIGODMgOZjaEtTuXOWjm9hGYqYeY2SKOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl]-2-methoxy-benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[1-(2-furanylmethylamino)-1-oxopropan-2-yl]-2-methoxybenzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-2-methoxybenzamide

> <PUBCHEM_IUPAC_NAME>
N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-2-methoxybenzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]-2-methoxy-benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-(2-furfurylamino)-2-keto-1-methyl-ethyl]-2-methoxy-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H18N2O4/c1-11(15(19)17-10-12-6-5-9-22-12)18-16(20)13-7-3-4-8-14(13)21-2/h3-9,11H,10H2,1-2H3,(H,17,19)(H,18,20)

> <PUBCHEM_IUPAC_INCHIKEY>
WNFPCMFQXXOSFZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.5

> <PUBCHEM_EXACT_MASS>
302.12665706

> <PUBCHEM_MOLECULAR_FORMULA>
C16H18N2O4

> <PUBCHEM_MOLECULAR_WEIGHT>
302.32

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C(=O)NCC1=CC=CO1)NC(=O)C2=CC=CC=C2OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C(=O)NCC1=CC=CO1)NC(=O)C2=CC=CC=C2OC

> <PUBCHEM_CACTVS_TPSA>
80.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
302.12665706

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
1  13  8
1  21  8
12  14  8
12  15  8
13  16  8
14  17  8
15  18  8
16  20  8
17  19  8
18  19  8
20  21  8
7  9  3

$$$$