
 SMR000010089

 45 48  0  0  0  0  0  0  0  0999 V2000
   -0.7245    0.5892   -5.1165 C   0  0  0  0  0
   -0.3480    0.1993   -3.7331 C   0  0  0  0  0
    0.0092    1.0595   -2.7008 C   0  0  0  0  0
    0.2870    0.3426   -1.5656 O   0  0  0  0  0
    0.1160   -0.9726   -1.8686 C   0  0  0  0  0
    0.3038   -2.0349   -0.9865 C   0  0  0  0  0
    0.0777   -3.3184   -1.4951 C   0  0  0  0  0
   -0.3165   -3.5102   -2.8211 C   0  0  0  0  0
   -0.4979   -2.4204   -3.6835 C   0  0  0  0  0
   -0.2753   -1.1197   -3.1930 C   0  0  0  0  0
    0.1188    2.5092   -2.6695 C   0  0  0  0  0
   -0.1005    3.1923   -3.6634 O   0  0  0  0  0
    0.4791    3.0058   -1.4257 N   0  0  0  0  0
    0.6579    4.3526   -1.0555 C   0  0  0  0  0
    0.5339    5.4236   -1.9374 C   0  0  0  0  0
    0.7134    6.7425   -1.4994 C   0  0  0  0  0
    1.0107    7.0364   -0.1654 C   0  0  0  0  0
    1.1447    5.9510    0.7128 C   0  0  0  0  0
    0.9754    4.6276    0.2774 C   0  0  0  0  0
    1.1706    8.3449    0.3274 N   0  0  0  0  0
    0.0174    8.7625    1.1648 C   0  0  0  0  0
    0.2857   10.1432    1.7894 C   0  0  0  0  0
    0.6070   11.1315    0.7971 O   0  0  0  0  0
    1.7727   10.7252    0.0608 C   0  0  0  0  0
    1.5300    9.3906   -0.6583 C   0  0  0  0  0
   -1.0323   -0.2767   -5.7102 H   0  0  0  0  0
    0.1231    1.0609   -5.6243 H   0  0  0  0  0
   -1.5606    1.2961   -5.1033 H   0  0  0  0  0
    0.6103   -1.8707    0.0389 H   0  0  0  0  0
    0.2119   -4.1818   -0.8462 H   0  0  0  0  0
   -0.4854   -4.5192   -3.1925 H   0  0  0  0  0
   -0.8041   -2.5839   -4.7126 H   0  0  0  0  0
    0.6083    2.3023   -0.7072 H   0  0  0  0  0
    0.2933    5.2799   -2.9857 H   0  0  0  0  0
    0.5863    7.5284   -2.2367 H   0  0  0  0  0
    1.4026    6.1336    1.7535 H   0  0  0  0  0
    1.0952    3.8250    0.9998 H   0  0  0  0  0
   -0.1698    8.0468    1.9736 H   0  0  0  0  0
   -0.8823    8.8193    0.5380 H   0  0  0  0  0
   -0.6081   10.4877    2.3192 H   0  0  0  0  0
    1.1056   10.0928    2.5154 H   0  0  0  0  0
    1.9888   11.5076   -0.6737 H   0  0  0  0  0
    2.6261   10.6610    0.7459 H   0  0  0  0  0
    0.7104    9.5347   -1.3732 H   0  0  0  0  0
    2.4377    9.1057   -1.2029 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 10  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 11  1  0  0  0
  4  5  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  7  8  2  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  9 10  2  0  0  0
  9 32  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 13 33  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 34  1  0  0  0
 16 17  2  0  0  0
 16 35  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 36  1  0  0  0
 19 37  1  0  0  0
 20 25  1  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 21 38  1  0  0  0
 21 39  1  0  0  0
 22 23  1  0  0  0
 22 40  1  0  0  0
 22 41  1  0  0  0
 23 24  1  0  0  0
 24 25  1  0  0  0
 24 42  1  0  0  0
 24 43  1  0  0  0
 25 44  1  0  0  0
 25 45  1  0  0  0
M  END

>  <Chemical Name>
SMR000010089

>  <PubChem CID>
647689

>  <Formula>
C20H20N2O3

>  <Molecular Weight>
336.391000

>  <IUPAC Name>
3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(OC2=CC=CC=C12)C(=O)NC3=CC=C(C=C3)N4CCOCC4

>  <Isomeric SMILES>
CC1=C(OC2=CC=CC=C12)C(=O)NC3=CC=C(C=C3)N4CCOCC4

>  <InChI Std. ID>
InChI=1S/C20H20N2O3/c1-14-17-4-2-3-5-18(17)25-19(14)20(23)21-15-6-8-16(9-7-15)22-10-12-24-13-11-22/h2-9H,10-13H2,1H3,(H,21,23)

>  <InChI Key>
AELDAMOGYZQRRC-UHFFFAOYSA-N

