
 CHEMBL3633890

 47 48  0  0  0  0  0  0  0  0999 V2000
    6.4567   -0.6612    1.8845 C   0  0  0  0  0
    5.2188    0.1146    2.3423 C   0  0  0  0  0
    4.9839    0.1219    3.8426 C   0  0  0  0  0
    3.6658    0.2492    4.3173 C   0  0  0  0  0
    3.3952    0.2950    5.6858 C   0  0  0  0  0
    4.4394    0.2211    6.6029 C   0  0  0  0  0
    5.7524    0.1085    6.1512 C   0  0  0  0  0
    6.0249    0.0657    4.7809 C   0  0  0  0  0
    5.2655    1.4859    1.8694 N   0  0  0  0  0
    4.8584    1.8378    0.6042 C   0  0  0  0  0
    4.4506    1.0341   -0.2315 O   0  0  0  0  0
    5.0477    3.3163    0.2799 C   0  0  0  0  0
    6.2735    3.4834   -0.4747 N   0  0  0  0  0
    7.4740    3.6992    0.1662 C   0  0  0  0  0
    7.5472    3.7901    1.3894 O   0  0  0  0  0
    8.7057    3.8195   -0.6755 C   0  0  0  0  0
    8.7030    3.6438   -2.0643 C   0  0  0  0  0
    9.8818    3.7777   -2.8032 C   0  0  0  0  0
   11.0694    4.0980   -2.1490 C   0  0  0  0  0
   11.0908    4.2820   -0.7629 C   0  0  0  0  0
    9.9113    4.1403   -0.0299 C   0  0  0  0  0
   12.3220    4.5964   -0.2539 O   0  0  0  0  0
   12.4076    4.8075    1.1504 C   0  0  0  0  0
    9.7313    3.5726   -4.1475 O   0  0  0  0  0
   10.9029    3.6668   -4.9488 C   0  0  0  0  0
    6.4963   -0.7156    0.7908 H   0  0  0  0  0
    6.4444   -1.6862    2.2710 H   0  0  0  0  0
    7.3856   -0.1811    2.2110 H   0  0  0  0  0
    4.3566   -0.3774    1.8718 H   0  0  0  0  0
    2.8385    0.3200    3.6131 H   0  0  0  0  0
    2.3702    0.3928    6.0333 H   0  0  0  0  0
    4.2311    0.2580    7.6688 H   0  0  0  0  0
    6.5688    0.0592    6.8673 H   0  0  0  0  0
    7.0618   -0.0063    4.4638 H   0  0  0  0  0
    5.8499    2.1444    2.3777 H   0  0  0  0  0
    5.0649    3.9203    1.1927 H   0  0  0  0  0
    4.2119    3.6500   -0.3424 H   0  0  0  0  0
    6.2428    3.1810   -1.4367 H   0  0  0  0  0
    7.8006    3.4009   -2.6131 H   0  0  0  0  0
   12.0029    4.2157   -2.6901 H   0  0  0  0  0
    9.9014    4.2817    1.0471 H   0  0  0  0  0
   13.4496    5.0423    1.3889 H   0  0  0  0  0
   12.1358    3.9022    1.7030 H   0  0  0  0  0
   11.7947    5.6607    1.4590 H   0  0  0  0  0
   10.6172    3.4517   -5.9830 H   0  0  0  0  0
   11.6489    2.9237   -4.6484 H   0  0  0  0  0
   11.3176    4.6796   -4.9207 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  9  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  5  6  2  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  7  8  2  0  0  0
  7 33  1  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 36  1  0  0  0
 12 37  1  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 21  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 39  1  0  0  0
 18 19  2  0  0  0
 18 24  1  0  0  0
 19 20  1  0  0  0
 19 40  1  0  0  0
 20 21  2  0  0  0
 20 22  1  0  0  0
 21 41  1  0  0  0
 22 23  1  0  0  0
 23 42  1  0  0  0
 23 43  1  0  0  0
 23 44  1  0  0  0
 24 25  1  0  0  0
 25 45  1  0  0  0
 25 46  1  0  0  0
 25 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3633890

>  <PubChem CID>
2109722

>  <Formula>
C19H22N2O4

>  <Molecular Weight>
342.395000

>  <IUPAC Name>
3,5-dimethoxy-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C1=CC=CC=C1)NC(=O)CNC(=O)C2=CC(=CC(=C2)OC)OC

>  <Isomeric SMILES>
C[C@@H](C1=CC=CC=C1)NC(=O)CNC(=O)C2=CC(=CC(=C2)OC)OC

>  <InChI Std. ID>
InChI=1S/C19H22N2O4/c1-13(14-7-5-4-6-8-14)21-18(22)12-20-19(23)15-9-16(24-2)11-17(10-15)25-3/h4-11,13H,12H2,1-3H3,(H,20,23)(H,21,22)/t13-/m0/s1

>  <InChI Key>
KCPQWEIJKSDUMS-ZDUSSCGKSA-N

