52202780
  -OEChem-04182402402D

 43 44  0     1  0  0  0  0  0999 V2000
    8.1667    4.3933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.1012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.3988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.1012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.8988    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1962    2.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9757    2.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448    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
    9.1448    4.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -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
    5.4641   -4.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.6012    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
    6.6592    2.2088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841    3.4814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856    2.7911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522    0.8618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.0888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722    1.9357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    1.7088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -1.0186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -1.7089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1046    2.3856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2615    3.6704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3970    5.1676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.7912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -4.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.2212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.5643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.6382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 18  1  0  0  0  0
  2 17  1  0  0  0  0
  2 23  1  0  0  0  0
  3 11  2  0  0  0  0
  4 15  2  0  0  0  0
  7  5  1  1  0  0  0
  5 11  1  0  0  0  0
  5 30  1  0  0  0  0
  6 13  1  0  0  0  0
  6 15  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 17  1  0  0  0  0
 14 19  2  0  0  0  0
 16 18  2  0  0  0  0
 16 35  1  0  0  0  0
 17 20  2  0  0  0  0
 18 36  1  0  0  0  0
 19 21  1  0  0  0  0
 19 37  1  0  0  0  0
 20 22  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  2  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
52202780

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
402

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABwAAAHgAQAAAADCzhmAYyBoLABECIAqlSkACCCAAkIAAIiIGODMgMZjqEtTuWOSjm1hGIqYeYyCCOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H20N2O4/c1-12(10-14-7-5-9-23-14)19-17(21)16(20)18-11-13-6-3-4-8-15(13)22-2/h3-9,12H,10-11H2,1-2H3,(H,18,20)(H,19,21)/t12-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
JMAZEQILJFSAIW-GFCCVEGCSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
316.14230712

> <PUBCHEM_MOLECULAR_FORMULA>
C17H20N2O4

> <PUBCHEM_MOLECULAR_WEIGHT>
316.35

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(CC1=CC=CO1)NC(=O)C(=O)NCC2=CC=CC=C2OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@H](CC1=CC=CO1)NC(=O)C(=O)NCC2=CC=CC=C2OC

> <PUBCHEM_CACTVS_TPSA>
80.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
316.14230712

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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  10  8
1  18  8
10  12  8
12  16  8
14  17  8
14  19  8
16  18  8
17  20  8
19  21  8
20  22  8
21  22  8
7  5  5

$$$$