
 2-methyl-N-[2-methyl-3-(propionylamino)phenyl]benzamide

 42 43  0  0  0  0  0  0  0  0999 V2000
    1.3031    1.0928   -2.8205 C   0  0  0  0  0
    1.9488    1.1045   -1.4437 C   0  0  0  0  0
    2.7496    2.3706   -1.2096 C   0  0  0  0  0
    2.5910    3.3717   -1.9069 O   0  0  0  0  0
    3.6543    2.2414   -0.1611 N   0  0  0  0  0
    4.5920    3.2427    0.1991 C   0  0  0  0  0
    4.2315    4.5925    0.0742 C   0  0  0  0  0
    5.1435    5.6036    0.3372 C   0  0  0  0  0
    6.4433    5.2740    0.6894 C   0  0  0  0  0
    6.8399    3.9344    0.8246 C   0  0  0  0  0
    5.8917    2.8937    0.6470 C   0  0  0  0  0
    6.2947    1.4587    0.8755 C   0  0  0  0  0
    8.1941    3.6381    1.1121 N   0  0  0  0  0
    9.2574    4.3897    0.6257 C   0  0  0  0  0
    9.1827    5.3722   -0.1064 O   0  0  0  0  0
   10.6035    3.9096    1.0136 C   0  0  0  0  0
   10.8807    3.7960    2.3834 C   0  0  0  0  0
   12.1675    3.4666    2.8083 C   0  0  0  0  0
   13.1733    3.2557    1.8688 C   0  0  0  0  0
   12.8970    3.3511    0.5031 C   0  0  0  0  0
   11.6071    3.6762    0.0547 C   0  0  0  0  0
   11.3396    3.7402   -1.4257 C   0  0  0  0  0
    0.6549    1.9640   -2.9662 H   0  0  0  0  0
    0.6982    0.1913   -2.9534 H   0  0  0  0  0
    2.0664    1.1123   -3.6067 H   0  0  0  0  0
    2.6015    0.2306   -1.3461 H   0  0  0  0  0
    1.1751    1.0501   -0.6709 H   0  0  0  0  0
    3.8319    1.2994    0.1533 H   0  0  0  0  0
    3.2260    4.8802   -0.2234 H   0  0  0  0  0
    4.8501    6.6454    0.2371 H   0  0  0  0  0
    7.1449    6.0862    0.8654 H   0  0  0  0  0
    7.3133    1.2642    0.5267 H   0  0  0  0  0
    5.6768    0.7434    0.3285 H   0  0  0  0  0
    6.2305    1.2248    1.9437 H   0  0  0  0  0
    8.4240    2.7163    1.4536 H   0  0  0  0  0
   10.1115    4.0075    3.1234 H   0  0  0  0  0
   12.3910    3.4029    3.8692 H   0  0  0  0  0
   14.1861    3.0242    2.1999 H   0  0  0  0  0
   13.7007    3.1832   -0.2092 H   0  0  0  0  0
   10.9817    4.7279   -1.7233 H   0  0  0  0  0
   10.6030    2.9795   -1.7057 H   0  0  0  0  0
   12.2488    3.5432   -2.0030 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  6 11  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  8  9  2  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 10 11  2  0  0  0
 10 13  1  0  0  0
 11 12  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 36  1  0  0  0
 18 19  2  0  0  0
 18 37  1  0  0  0
 19 20  1  0  0  0
 19 38  1  0  0  0
 20 21  2  0  0  0
 20 39  1  0  0  0
 21 22  1  0  0  0
 22 40  1  0  0  0
 22 41  1  0  0  0
 22 42  1  0  0  0
M  END

>  <Chemical Name>
2-methyl-N-[2-methyl-3-(propionylamino)phenyl]benzamide

>  <PubChem CID>
25642843

>  <Formula>
C18H20N2O2

>  <Molecular Weight>
296.370000

>  <IUPAC Name>
2-methyl-N-[2-methyl-3-(propanoylamino)phenyl]benzamide

>  <XlogP>
2.900

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCC(=O)NC1=CC=CC(=C1C)NC(=O)C2=CC=CC=C2C

>  <Isomeric SMILES>
CCC(=O)NC1=CC=CC(=C1C)NC(=O)C2=CC=CC=C2C

>  <InChI Std. ID>
InChI=1S/C18H20N2O2/c1-4-17(21)19-15-10-7-11-16(13(15)3)20-18(22)14-9-6-5-8-12(14)2/h5-11H,4H2,1-3H3,(H,19,21)(H,20,22)

>  <InChI Key>
BQDYOVGQSJWZQQ-UHFFFAOYSA-N

