
 BRN 2116323

 38 38  0  0  0  0  0  0  0  0999 V2000
    4.6582   -0.7060    3.4936 C   0  0  0  0  0
    4.5460   -0.7481    1.9669 C   0  0  0  0  0
    3.1128   -1.1059    1.5698 C   0  0  0  0  0
    4.9500    0.5643    1.4538 N   0  0  0  0  0
    5.0592    0.6262   -0.0117 C   0  0  0  0  0
    5.6007    1.9994   -0.4576 C   0  0  0  0  0
    4.7191    3.1478    0.0518 C   0  0  0  0  0
    5.2116    4.3781   -0.4984 O   0  0  0  0  0
    4.5578    5.5158   -0.1063 C   0  0  0  0  0
    3.4450    5.5708    0.7354 C   0  0  0  0  0
    2.8588    6.8010    1.0638 C   0  0  0  0  0
    3.3799    7.9925    0.5482 C   0  0  0  0  0
    4.5008    7.9334   -0.2913 C   0  0  0  0  0
    5.0826    6.7036   -0.6155 C   0  0  0  0  0
    2.8047    9.3335    0.8531 C   0  0  0  0  0
    3.3315   10.3621    0.4449 O   0  0  0  0  0
    1.6591    9.4072    1.5958 N   0  0  0  0  0
    6.9423    2.1590    0.0341 O   0  0  0  0  0
    5.6851   -0.4887    3.8085 H   0  0  0  0  0
    4.3761   -1.6698    3.9308 H   0  0  0  0  0
    4.0037    0.0616    3.9232 H   0  0  0  0  0
    5.2295   -1.5221    1.5974 H   0  0  0  0  0
    2.4108   -0.3104    1.8446 H   0  0  0  0  0
    2.7893   -2.0241    2.0722 H   0  0  0  0  0
    3.0255   -1.2798    0.4927 H   0  0  0  0  0
    5.8752    0.8047    1.8258 H   0  0  0  0  0
    4.0814    0.4685   -0.4781 H   0  0  0  0  0
    5.7453   -0.1554   -0.3589 H   0  0  0  0  0
    5.6622    2.0319   -1.5515 H   0  0  0  0  0
    4.7831    3.2049    1.1451 H   0  0  0  0  0
    3.6842    2.9850   -0.2714 H   0  0  0  0  0
    3.0039    4.6747    1.1609 H   0  0  0  0  0
    2.0043    6.7914    1.7290 H   0  0  0  0  0
    4.9285    8.8479   -0.6990 H   0  0  0  0  0
    5.9516    6.6777   -1.2686 H   0  0  0  0  0
    1.1210    8.6206    1.9205 H   0  0  0  0  0
    1.2874   10.3341    1.7583 H   0  0  0  0  0
    7.1789    3.0889   -0.1443 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6 18  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 32  1  0  0  0
 11 12  2  0  0  0
 11 33  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 34  1  0  0  0
 14 35  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 36  1  0  0  0
 17 37  1  0  0  0
 18 38  1  0  0  0
M  END

>  <Chemical Name>
BRN 2116323

>  <PubChem CID>
214809

>  <Formula>
C13H20N2O3

>  <Molecular Weight>
252.314000

>  <IUPAC Name>
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide

>  <XlogP>
0.600

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)NCC(COC1=CC=C(C=C1)C(=O)N)O

>  <Isomeric SMILES>
CC(C)NCC(COC1=CC=C(C=C1)C(=O)N)O

>  <InChI Std. ID>
InChI=1S/C13H20N2O3/c1-9(2)15-7-11(16)8-18-12-5-3-10(4-6-12)13(14)17/h3-6,9,11,15-16H,7-8H2,1-2H3,(H2,14,17)

>  <InChI Key>
GKCXZIYBNFXMHE-UHFFFAOYSA-N

