60264831
  -OEChem-05072416252D

 46 47  0     1  0  0  0  0  0999 V2000
    3.7320   -2.5194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8712    3.5684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.0194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.4806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.0194    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1962    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2532    3.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5622    4.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5622    4.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    1.0175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    0.7906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -0.0564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742    1.3980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728    2.0882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    1.7906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.7094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -4.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.9825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.2094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.0564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -4.0194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.6394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -4.0194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.1394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6635    3.3768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1978    5.0210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9266    5.0210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2 17  1  0  0  0  0
  2 24  1  0  0  0  0
  3  8  2  0  0  0  0
  4 13  2  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 26  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 25  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
  9 15  2  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 16  2  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 30  1  0  0  0  0
 14 17  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 20  1  0  0  0  0
 15 34  1  0  0  0  0
 16 21  1  0  0  0  0
 16 35  1  0  0  0  0
 17 22  2  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  2  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 23  1  0  0  0  0
 22 44  1  0  0  0  0
 23 24  2  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60264831

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
427

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABwAAAHgAQAAAADDzhmAYyBoLABECIAqlSkACCCAAkIAAIiIGODMgOZjaEtTuXOWjm9hGYqYeY2SKOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H22N2O4/c1-12(2)24-16-9-5-4-8-15(16)18(22)20-13(3)17(21)19-11-14-7-6-10-23-14/h4-10,12-13H,11H2,1-3H3,(H,19,21)(H,20,22)

> <PUBCHEM_IUPAC_INCHIKEY>
RSYLFZKIMOAUOV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.3

> <PUBCHEM_EXACT_MASS>
330.15795719

> <PUBCHEM_MOLECULAR_FORMULA>
C18H22N2O4

> <PUBCHEM_MOLECULAR_WEIGHT>
330.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)OC1=CC=CC=C1C(=O)NC(C)C(=O)NCC2=CC=CO2

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)OC1=CC=CC=C1C(=O)NC(C)C(=O)NCC2=CC=CO2

> <PUBCHEM_CACTVS_TPSA>
80.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
330.15795719

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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>
11  16  8
15  20  8
16  21  8
17  22  8
2  17  8
2  24  8
20  21  8
22  23  8
23  24  8
7  10  3
9  11  8
9  15  8

$$$$