
 CHEMBL3260984

 52 53  0  0  0  0  0  0  0  0999 V2000
    4.1295    0.0555   -1.9861 C   0  0  0  0  0
    3.9130    1.1400   -3.0290 C   0  0  0  0  0
    5.2015    1.8449   -3.4530 C   0  0  0  0  0
    5.8788    2.6329   -2.3275 C   0  0  0  0  0
    7.1024    3.3808   -2.8643 C   0  0  0  0  0
    7.8215    4.2050   -1.7978 C   0  0  0  0  0
    8.3876    3.3273   -0.8240 O   0  0  0  0  0
    9.3709    3.8488   -0.0274 C   0  0  0  0  0
    9.6771    5.2051    0.1074 C   0  0  0  0  0
   10.7395    5.6241    0.9308 C   0  0  0  0  0
   11.4731    4.6667    1.6394 C   0  0  0  0  0
   11.1490    3.3147    1.5277 C   0  0  0  0  0
   10.1045    2.9091    0.6957 C   0  0  0  0  0
   12.4973    4.9602    2.4974 O   0  0  0  0  0
   12.9713    6.3078    2.4717 C   0  0  0  0  0
   11.8469    7.3218    2.3349 C   0  0  0  0  0
   11.0929    7.0941    1.0220 C   0  0  0  0  0
   11.8716    7.5148   -0.2445 C   0  0  0  0  0
   12.2552    8.9945   -0.2661 C   0  0  0  0  0
   12.8817    9.3736   -1.5173 N   0  0  0  0  0
   14.1913    9.0500   -1.7961 C   0  0  0  0  0
   14.9121    8.4213   -1.0286 O   0  0  0  0  0
   14.6764    9.5268   -3.1388 C   0  0  0  0  0
    3.2023   -0.5071   -1.8311 H   0  0  0  0  0
    4.4235    0.4816   -1.0232 H   0  0  0  0  0
    4.9039   -0.6504   -2.3050 H   0  0  0  0  0
    3.1911    1.8723   -2.6517 H   0  0  0  0  0
    3.4633    0.6816   -3.9191 H   0  0  0  0  0
    4.9595    2.5309   -4.2742 H   0  0  0  0  0
    5.9048    1.1066   -3.8584 H   0  0  0  0  0
    6.1848    1.9536   -1.5234 H   0  0  0  0  0
    5.1673    3.3489   -1.8978 H   0  0  0  0  0
    6.7926    4.0498   -3.6748 H   0  0  0  0  0
    7.8050    2.6521   -3.2842 H   0  0  0  0  0
    7.1198    4.8935   -1.3103 H   0  0  0  0  0
    8.6076    4.7795   -2.3044 H   0  0  0  0  0
    9.1049    5.9605   -0.4187 H   0  0  0  0  0
   11.7167    2.5747    2.0850 H   0  0  0  0  0
    9.8683    1.8518    0.6057 H   0  0  0  0  0
   13.4950    6.4786    3.4185 H   0  0  0  0  0
   13.7177    6.4087    1.6752 H   0  0  0  0  0
   12.2308    8.3431    2.4151 H   0  0  0  0  0
   11.1468    7.1829    3.1706 H   0  0  0  0  0
   10.1641    7.6777    1.0690 H   0  0  0  0  0
   11.2599    7.3051   -1.1324 H   0  0  0  0  0
   12.7700    6.8957   -0.3643 H   0  0  0  0  0
   12.9562    9.2311    0.5405 H   0  0  0  0  0
   11.3668    9.6226   -0.1482 H   0  0  0  0  0
   12.3365    9.8823   -2.1994 H   0  0  0  0  0
   13.9516   10.1865   -3.6237 H   0  0  0  0  0
   14.8532    8.6624   -3.7836 H   0  0  0  0  0
   15.6083   10.0828   -3.0019 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 37  1  0  0  0
 10 17  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 38  1  0  0  0
 13 39  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 40  1  0  0  0
 15 41  1  0  0  0
 16 17  1  0  0  0
 16 42  1  0  0  0
 16 43  1  0  0  0
 17 18  1  0  0  0
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 18 19  1  0  0  0
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 18 46  1  0  0  0
 19 20  1  0  0  0
 19 47  1  0  0  0
 19 48  1  0  0  0
 20 21  1  0  0  0
 20 49  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 50  1  0  0  0
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 23 52  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3260984

>  <PubChem CID>
85880795

>  <Formula>
C19H29NO3

>  <Molecular Weight>
319.445000

>  <IUPAC Name>
N-[2-(6-hexoxy-3,4-dihydro-2H-chromen-4-yl)ethyl]acetamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCCCCOC1=CC2=C(C=C1)OCCC2CCNC(=O)C

>  <Isomeric SMILES>
CCCCCCOC1=CC2=C(C=C1)OCCC2CCNC(=O)C

>  <InChI Std. ID>
InChI=1S/C19H29NO3/c1-3-4-5-6-12-22-17-7-8-19-18(14-17)16(10-13-23-19)9-11-20-15(2)21/h7-8,14,16H,3-6,9-13H2,1-2H3,(H,20,21)

>  <InChI Key>
BXWHWWURZHTYJL-UHFFFAOYSA-N

