
 AH 3474

 38 38  0  0  0  0  0  0  0  0999 V2000
    4.8712   -1.4579   -0.3108 C   0  0  0  0  0
    4.1951   -0.4600   -1.2655 C   0  0  0  0  0
    4.5468   -0.8604   -2.7113 C   0  0  0  0  0
    2.6663   -0.5344   -1.1030 C   0  0  0  0  0
    4.7147    0.9133   -1.0752 N   0  0  0  0  0
    4.4147    1.5117    0.2405 C   0  0  0  0  0
    5.0092    2.9396    0.3434 C   0  0  0  0  0
    4.6639    3.5531    1.6836 C   0  0  0  0  0
    3.4395    4.2246    1.8391 C   0  0  0  0  0
    3.0216    4.7052    3.0911 C   0  0  0  0  0
    3.8630    4.5268    4.1982 C   0  0  0  0  0
    5.0936    3.8796    4.0532 C   0  0  0  0  0
    5.4865    3.3915    2.8048 C   0  0  0  0  0
    3.5001    4.9754    5.4423 O   0  0  0  0  0
    1.6777    5.3538    3.1439 C   0  0  0  0  0
    1.0828    5.6878    2.1249 O   0  0  0  0  0
    1.1113    5.5365    4.3700 N   0  0  0  0  0
    6.4252    2.8741    0.1594 O   0  0  0  0  0
    4.5978   -1.2796    0.7345 H   0  0  0  0  0
    5.9633   -1.4061   -0.3885 H   0  0  0  0  0
    4.5734   -2.4864   -0.5464 H   0  0  0  0  0
    5.6293   -0.8338   -2.8827 H   0  0  0  0  0
    4.0750   -0.1900   -3.4398 H   0  0  0  0  0
    4.2035   -1.8778   -2.9334 H   0  0  0  0  0
    2.3546   -0.3684   -0.0662 H   0  0  0  0  0
    2.2890   -1.5218   -1.3938 H   0  0  0  0  0
    2.1621    0.2085   -1.7316 H   0  0  0  0  0
    4.3135    1.5131   -1.7998 H   0  0  0  0  0
    4.8628    0.8966    1.0292 H   0  0  0  0  0
    3.3343    1.5623    0.4100 H   0  0  0  0  0
    4.6159    3.5748   -0.4600 H   0  0  0  0  0
    2.7847    4.3536    0.9771 H   0  0  0  0  0
    5.7564    3.7293    4.9008 H   0  0  0  0  0
    6.4388    2.8717    2.7086 H   0  0  0  0  0
    4.2554    4.8603    6.0453 H   0  0  0  0  0
    1.6389    5.3440    5.2146 H   0  0  0  0  0
    0.2240    6.0141    4.4290 H   0  0  0  0  0
    6.5489    2.1921   -0.5309 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  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 22  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  4 25  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  6 30  1  0  0  0
  7 18  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 33  1  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>
AH 3474

>  <PubChem CID>
161394

>  <Formula>
C13H20N2O3

>  <Molecular Weight>
252.314000

>  <IUPAC Name>
5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxybenzamide

>  <XlogP>
1.300

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C13H20N2O3/c1-13(2,3)15-7-11(17)8-4-5-10(16)9(6-8)12(14)18/h4-6,11,15-17H,7H2,1-3H3,(H2,14,18)

>  <InChI Key>
XJSJWMNGCFMVJB-UHFFFAOYSA-N

