
 CHEMBL137998

 38 39  0  0  0  0  0  0  0  0999 V2000
    3.6243   -1.2414    1.1811 C   0  0  0  0  0
    4.5439   -0.1637    0.6365 C   0  0  0  0  0
    5.8834   -0.6630    0.6513 O   0  0  0  0  0
    6.8254    0.1283    0.0518 C   0  0  0  0  0
    6.7092    1.5062   -0.1481 C   0  0  0  0  0
    7.7020    2.2570   -0.8207 C   0  0  0  0  0
    8.8773    1.5717   -1.2220 C   0  0  0  0  0
    9.9156    2.2696   -1.8540 C   0  0  0  0  0
    9.8053    3.6330   -2.1093 C   0  0  0  0  0
    8.6502    4.3139   -1.7433 C   0  0  0  0  0
    7.5868    3.6504   -1.1026 C   0  0  0  0  0
    6.3731    4.4835   -0.7187 C   0  0  0  0  0
    5.0621    4.1215   -1.4298 C   0  0  0  0  0
    5.1335    4.2201   -2.8718 N   0  0  0  0  0
    4.7944    5.3684   -3.5441 C   0  0  0  0  0
    4.4424    6.4041   -2.9903 O   0  0  0  0  0
    4.8998    5.2504   -5.0398 C   0  0  0  0  0
    9.0077    0.1957   -0.9760 C   0  0  0  0  0
    7.9862   -0.5188   -0.3504 C   0  0  0  0  0
    2.5843   -0.9036    1.1739 H   0  0  0  0  0
    3.9038   -1.4987    2.2079 H   0  0  0  0  0
    3.7044   -2.1575    0.5870 H   0  0  0  0  0
    4.4581    0.7203    1.2784 H   0  0  0  0  0
    4.2411    0.0867   -0.3870 H   0  0  0  0  0
    5.8417    2.0180    0.2463 H   0  0  0  0  0
   10.8283    1.7551   -2.1471 H   0  0  0  0  0
   10.6227    4.1642   -2.5902 H   0  0  0  0  0
    8.5855    5.3812   -1.9532 H   0  0  0  0  0
    6.5847    5.5441   -0.9104 H   0  0  0  0  0
    6.2346    4.4075    0.3672 H   0  0  0  0  0
    4.2696    4.7864   -1.0660 H   0  0  0  0  0
    4.7399    3.1012   -1.2138 H   0  0  0  0  0
    5.5695    3.4573   -3.3768 H   0  0  0  0  0
    5.8670    5.6416   -5.3659 H   0  0  0  0  0
    4.0925    5.8250   -5.5022 H   0  0  0  0  0
    4.8006    4.2100   -5.3619 H   0  0  0  0  0
    9.9088   -0.3362   -1.2736 H   0  0  0  0  0
    8.0986   -1.5862   -0.1789 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  4 19  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7 18  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 26  1  0  0  0
  9 10  1  0  0  0
  9 27  1  0  0  0
 10 11  2  0  0  0
 10 28  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 29  1  0  0  0
 12 30  1  0  0  0
 13 14  1  0  0  0
 13 31  1  0  0  0
 13 32  1  0  0  0
 14 15  1  0  0  0
 14 33  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 34  1  0  0  0
 17 35  1  0  0  0
 17 36  1  0  0  0
 18 19  2  0  0  0
 18 37  1  0  0  0
 19 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL137998

>  <PubChem CID>
44359127

>  <Formula>
C16H19NO2

>  <Molecular Weight>
257.333000

>  <IUPAC Name>
N-[2-(7-ethoxynaphthalen-1-yl)ethyl]acetamide

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCOC1=CC2=C(C=CC=C2CCNC(=O)C)C=C1

>  <Isomeric SMILES>
CCOC1=CC2=C(C=CC=C2CCNC(=O)C)C=C1

>  <InChI Std. ID>
InChI=1S/C16H19NO2/c1-3-19-15-8-7-13-5-4-6-14(16(13)11-15)9-10-17-12(2)18/h4-8,11H,3,9-10H2,1-2H3,(H,17,18)

>  <InChI Key>
BCGDPNIAQGAMSI-UHFFFAOYSA-N

