
 CHEMBL253597

 46 48  0  0  0  0  0  0  0  0999 V2000
    2.7029   -1.7103    1.0259 C   0  0  0  0  0
    2.3983   -0.2740    0.6801 C   0  0  0  0  0
    1.2118    0.0610    0.6004 O   0  0  0  0  0
    3.4415    0.6426    0.5788 N   0  0  0  0  0
    3.0723    2.0684    0.4640 C   0  0  0  0  0
    2.9568    2.5373   -0.9746 C   0  0  0  0  0
    1.7511    2.3248   -1.6665 C   0  0  0  0  0
    1.6140    2.7063   -2.9991 C   0  0  0  0  0
    2.6830    3.3001   -3.6595 C   0  0  0  0  0
    3.8857    3.5255   -2.9857 C   0  0  0  0  0
    4.0302    3.1543   -1.6436 C   0  0  0  0  0
    5.1591    3.3675   -0.8985 O   0  0  0  0  0
    6.2999    3.8936   -1.5640 C   0  0  0  0  0
    4.8283    0.3211    0.3958 C   0  0  0  0  0
    5.3110   -0.6146   -0.5332 C   0  0  0  0  0
    6.6921   -0.7343   -0.7471 C   0  0  0  0  0
    7.5562    0.0102    0.0327 C   0  0  0  0  0
    7.1435    0.8757    0.9744 N   0  0  0  0  0
    5.8018    1.0234    1.1134 C   0  0  0  0  0
    4.4198   -1.2995   -1.3330 O   0  0  0  0  0
    4.6695   -2.6231   -1.6406 C   0  0  0  0  0
    4.1578   -3.0728   -2.8589 C   0  0  0  0  0
    4.3263   -4.4049   -3.2418 C   0  0  0  0  0
    5.0013   -5.2926   -2.4044 C   0  0  0  0  0
    5.4914   -4.8546   -1.1752 C   0  0  0  0  0
    5.3116   -3.5262   -0.7848 C   0  0  0  0  0
    3.7224   -1.8637    1.3783 H   0  0  0  0  0
    2.4888   -2.3417    0.1609 H   0  0  0  0  0
    2.0376   -2.0137    1.8411 H   0  0  0  0  0
    3.7693    2.6978    1.0270 H   0  0  0  0  0
    2.1092    2.2356    0.9645 H   0  0  0  0  0
    0.9078    1.8537   -1.1641 H   0  0  0  0  0
    0.6747    2.5346   -3.5178 H   0  0  0  0  0
    2.5813    3.5930   -4.7012 H   0  0  0  0  0
    4.6910    3.9974   -3.5380 H   0  0  0  0  0
    6.6286    3.2316   -2.3719 H   0  0  0  0  0
    7.1129    3.9578   -0.8343 H   0  0  0  0  0
    6.1064    4.9059   -1.9340 H   0  0  0  0  0
    7.0936   -1.3859   -1.5155 H   0  0  0  0  0
    8.6326   -0.0677   -0.0906 H   0  0  0  0  0
    5.5272    1.7501    1.8729 H   0  0  0  0  0
    3.6223   -2.3858   -3.5092 H   0  0  0  0  0
    3.9258   -4.7515   -4.1910 H   0  0  0  0  0
    5.1342   -6.3292   -2.7040 H   0  0  0  0  0
    6.0049   -5.5499   -0.5156 H   0  0  0  0  0
    5.6733   -3.2165    0.1914 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4 14  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  8  9  2  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
 10 11  2  0  0  0
 10 35  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 36  1  0  0  0
 13 37  1  0  0  0
 13 38  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 20  1  0  0  0
 16 17  2  0  0  0
 16 39  1  0  0  0
 17 18  1  0  0  0
 17 40  1  0  0  0
 18 19  2  0  0  0
 19 41  1  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 42  1  0  0  0
 23 24  2  0  0  0
 23 43  1  0  0  0
 24 25  1  0  0  0
 24 44  1  0  0  0
 25 26  2  0  0  0
 25 45  1  0  0  0
 26 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL253597

>  <PubChem CID>
11653141

>  <Formula>
C21H20N2O3

>  <Molecular Weight>
347.402000

>  <IUPAC Name>
N-[(2-methoxyphenyl)methyl]-N-(4-phenoxypyridin-3-yl)acetamide

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(=O)N(CC1=CC=CC=C1OC)C2=C(C=CN=C2)OC3=CC=CC=C3

>  <Isomeric SMILES>
CC(=O)N(CC1=CC=CC=C1O[11CH3])C2=C(C=CN=C2)OC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C21H20N2O3/c1-16(24)23(15-17-8-6-7-11-20(17)25-2)19-14-22-13-12-21(19)26-18-9-4-3-5-10-18/h3-14H,15H2,1-2H3/i2-1

>  <InChI Key>
DHZBNHMEIOBPAE-JVVVGQRLSA-N

