52177120
  -OEChem-05072409402D

 39 40  0     1  0  0  0  0  0999 V2000
    7.2437    2.9920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.1012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.8988    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4641    2.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4347    4.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4128    4.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    3.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    3.4814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    2.7911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201    0.8618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.0888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401    1.9357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.7088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9739    4.8082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -1.0186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -1.7089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6650    5.1676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5294    3.6704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.7912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.7912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.2212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 16  1  0  0  0  0
  2 10  2  0  0  0  0
  3 13  2  0  0  0  0
  6  4  1  1  0  0  0
  4 10  1  0  0  0  0
  4 28  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 15  1  0  0  0  0
 11 29  1  0  0  0  0
 12 14  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 19  1  0  0  0  0
 17 35  1  0  0  0  0
 18 20  2  0  0  0  0
 18 36  1  0  0  0  0
 19 21  2  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
52177120

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
353

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABwAAAHgAQAAAADCzhmAYyBILABECIAqlSkACCCAAkIAAIiIGODMgMZjqEtTuWOSjm1hGIqYeYyCCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-benzyl-N'-[(1R)-2-(2-furyl)-1-methyl-ethyl]oxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N'-[(2R)-1-(2-furanyl)propan-2-yl]-N-(phenylmethyl)oxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-benzyl-<I>N</I>&apos;-[(2<I>R</I>)-1-(furan-2-yl)propan-2-yl]oxamide

> <PUBCHEM_IUPAC_NAME>
N-benzyl-N'-[(2R)-1-(furan-2-yl)propan-2-yl]oxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N'-[(2R)-1-(furan-2-yl)propan-2-yl]-N-(phenylmethyl)ethanediamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-benzyl-N'-[(1R)-2-(2-furyl)-1-methyl-ethyl]oxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H18N2O3/c1-12(10-14-8-5-9-21-14)18-16(20)15(19)17-11-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,17,19)(H,18,20)/t12-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
WKJOTUJOWFPGFN-GFCCVEGCSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
286.13174244

> <PUBCHEM_MOLECULAR_FORMULA>
C16H18N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
286.33

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(CC1=CC=CO1)NC(=O)C(=O)NCC2=CC=CC=C2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@H](CC1=CC=CO1)NC(=O)C(=O)NCC2=CC=CC=C2

> <PUBCHEM_CACTVS_TPSA>
71.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
286.13174244

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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>
1  16  8
1  9  8
11  15  8
14  17  8
14  18  8
15  16  8
17  19  8
18  20  8
19  21  8
20  21  8
6  4  5
9  11  8

$$$$