56174892
  -OEChem-05102423052D

 50 51  0     1  0  0  0  0  0999 V2000
    9.8988    5.1433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.6488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.8512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.6488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.6488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.8512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.1488    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0622    2.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    4.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7078    3.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3769    4.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8769    5.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.5288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    0.9588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6182    0.1118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.3388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2382    1.1857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7162    4.2314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3176    3.5411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.3388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181   -0.2686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196   -0.9589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.5412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8367    3.1356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -5.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -5.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.9712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9935    4.4204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1291    5.9176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -4.3262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -4.3262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.8143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.8882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 25  1  0  0  0  0
  2 10  2  0  0  0  0
  3 18  1  0  0  0  0
  3 26  1  0  0  0  0
  4 13  2  0  0  0  0
  5 17  2  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  6 29  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 35  1  0  0  0  0
  8 14  1  0  0  0  0
  8 17  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 28  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 15  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 19 39  1  0  0  0  0
 20 24  1  0  0  0  0
 20 40  1  0  0  0  0
 21 23  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  2  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
 24 25  2  0  0  0  0
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
 26 27  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56174892

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
514

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABwAAAHgAQAAAADCzhmAYyBoLABECIAqlSkACCCAAkIAAIiIGODMgOZjaEtTuXOWjm9hGYqYeY2SKOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
2-ethoxy-N-[2-[[1-(2-furanylmethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-ethoxy-<I>N</I>-[2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]benzamide

> <PUBCHEM_IUPAC_NAME>
2-ethoxy-N-[2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]benzamide

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H23N3O5/c1-3-26-16-9-5-4-8-15(16)19(25)21-12-17(23)22-13(2)18(24)20-11-14-7-6-10-27-14/h4-10,13H,3,11-12H2,1-2H3,(H,20,24)(H,21,25)(H,22,23)

> <PUBCHEM_IUPAC_INCHIKEY>
NSTSICUULWDLJY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.2

> <PUBCHEM_EXACT_MASS>
373.16377084

> <PUBCHEM_MOLECULAR_FORMULA>
C19H23N3O5

> <PUBCHEM_MOLECULAR_WEIGHT>
373.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC1=CC=CC=C1C(=O)NCC(=O)NC(C)C(=O)NCC2=CC=CO2

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC1=CC=CC=C1C(=O)NCC(=O)NC(C)C(=O)NCC2=CC=CO2

> <PUBCHEM_CACTVS_TPSA>
110

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
373.16377084

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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  15  8
1  25  8
15  20  8
16  18  8
16  19  8
18  21  8
19  22  8
20  24  8
21  23  8
22  23  8
24  25  8
9  11  3

$$$$