
 CHEMBL138807

 39 40  0  0  0  0  0  0  0  0999 V2000
    2.2782    5.6146   -1.9061 C   0  0  0  0  0
    3.7155    5.3511   -2.2612 C   0  0  0  0  0
    4.1258    5.4102   -3.4157 O   0  0  0  0  0
    4.5060    5.0220   -1.1887 N   0  0  0  0  0
    5.8735    4.5644   -1.3634 C   0  0  0  0  0
    6.5494    4.2216   -0.0174 C   0  0  0  0  0
    5.8187    3.0796    0.7208 C   0  0  0  0  0
    4.4744    3.4536    1.0378 O   0  0  0  0  0
    8.0314    3.8705   -0.1796 C   0  0  0  0  0
    8.3723    2.8205   -1.0594 C   0  0  0  0  0
    9.6931    2.4253   -1.2354 C   0  0  0  0  0
   10.7042    3.0667   -0.5325 C   0  0  0  0  0
   10.4129    4.1132    0.3514 C   0  0  0  0  0
    9.0702    4.5356    0.5452 C   0  0  0  0  0
    8.8674    5.6027    1.4562 C   0  0  0  0  0
    9.9248    6.2394    2.1166 C   0  0  0  0  0
   11.2238    5.7923    1.9228 C   0  0  0  0  0
   11.4627    4.7358    1.0446 C   0  0  0  0  0
    9.5618    7.2656    2.9468 O   0  0  0  0  0
   10.5515    8.2705    3.1446 C   0  0  0  0  0
    2.1305    5.6656   -0.8233 H   0  0  0  0  0
    1.6577    4.8078   -2.3075 H   0  0  0  0  0
    1.9697    6.5701   -2.3401 H   0  0  0  0  0
    4.0481    4.7233   -0.3273 H   0  0  0  0  0
    6.4249    5.3605   -1.8810 H   0  0  0  0  0
    5.8432    3.7008   -2.0354 H   0  0  0  0  0
    6.4274    5.1169    0.5982 H   0  0  0  0  0
    6.3285    2.8431    1.6620 H   0  0  0  0  0
    5.7792    2.1694    0.1123 H   0  0  0  0  0
    4.0977    2.7138    1.5478 H   0  0  0  0  0
    7.6048    2.2905   -1.6198 H   0  0  0  0  0
    9.9342    1.6166   -1.9205 H   0  0  0  0  0
   11.7313    2.7411   -0.6843 H   0  0  0  0  0
    7.8720    5.9838    1.6635 H   0  0  0  0  0
   12.0650    6.2332    2.4461 H   0  0  0  0  0
   12.4888    4.4003    0.9050 H   0  0  0  0  0
   10.0670    9.1251    3.6255 H   0  0  0  0  0
   10.9683    8.6155    2.1923 H   0  0  0  0  0
   11.3417    7.9148    3.8138 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  5 26  1  0  0  0
  6  9  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  7 29  1  0  0  0
  8 30  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 11 12  2  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 34  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 35  1  0  0  0
 18 36  1  0  0  0
 19 20  1  0  0  0
 20 37  1  0  0  0
 20 38  1  0  0  0
 20 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL138807

>  <PubChem CID>
44359437

>  <Formula>
C16H19NO3

>  <Molecular Weight>
273.332000

>  <IUPAC Name>
N-[3-hydroxy-2-(7-methoxynaphthalen-1-yl)propyl]acetamide

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(=O)NCC(CO)C1=CC=CC2=C1C=C(C=C2)OC

>  <Isomeric SMILES>
CC(=O)NCC(CO)C1=CC=CC2=C1C=C(C=C2)OC

>  <InChI Std. ID>
InChI=1S/C16H19NO3/c1-11(19)17-9-13(10-18)15-5-3-4-12-6-7-14(20-2)8-16(12)15/h3-8,13,18H,9-10H2,1-2H3,(H,17,19)

>  <InChI Key>
ACRFALLEPRLOAU-UHFFFAOYSA-N

