
 CHEMBL341705

 42 44  0  0  0  0  0  0  0  0999 V2000
    1.4552    4.3786    1.7073 C   0  0  0  0  0
    2.7661    4.0870    0.9959 C   0  0  0  0  0
    3.1380    2.6115    1.0968 C   0  0  0  0  0
    4.4025    2.3040    0.3265 C   0  0  0  0  0
    4.4031    1.6122   -0.6874 O   0  0  0  0  0
    5.5445    2.8465    0.8694 N   0  0  0  0  0
    6.8433    2.6176    0.2609 C   0  0  0  0  0
    7.9694    3.3271    0.9981 C   0  0  0  0  0
    9.2051    2.5783    0.5150 C   0  0  0  0  0
    8.7599    1.1872    0.4105 N   0  0  0  0  0
    7.2975    1.1414    0.2646 C   0  0  0  0  0
    9.5804    0.1832   -0.0728 C   0  0  0  0  0
    9.1821   -1.1467   -0.2391 C   0  0  0  0  0
    7.8794   -1.8170    0.0161 C   0  0  0  0  0
    8.2964   -3.2801   -0.0926 C   0  0  0  0  0
    9.4958   -3.3656   -0.8847 O   0  0  0  0  0
   10.0464   -2.1134   -0.7628 C   0  0  0  0  0
   11.3424   -1.8352   -1.1330 C   0  0  0  0  0
   11.7930   -0.5391   -0.9364 C   0  0  0  0  0
   10.9293    0.4404   -0.4075 C   0  0  0  0  0
    1.2109    5.4426    1.6301 H   0  0  0  0  0
    1.5199    4.1203    2.7691 H   0  0  0  0  0
    0.6330    3.8080    1.2637 H   0  0  0  0  0
    3.5564    4.7102    1.4305 H   0  0  0  0  0
    2.6814    4.3777   -0.0582 H   0  0  0  0  0
    2.3333    1.9860    0.6925 H   0  0  0  0  0
    3.2829    2.3154    2.1423 H   0  0  0  0  0
    5.4918    3.3188    1.7630 H   0  0  0  0  0
    6.7953    2.9738   -0.7768 H   0  0  0  0  0
    7.8591    3.2151    2.0840 H   0  0  0  0  0
    8.0139    4.3971    0.7729 H   0  0  0  0  0
    9.5115    2.9621   -0.4659 H   0  0  0  0  0
   10.0284    2.6969    1.2273 H   0  0  0  0  0
    6.9837    0.6740   -0.6741 H   0  0  0  0  0
    6.8577    0.6037    1.1117 H   0  0  0  0  0
    7.1583   -1.5719   -0.7694 H   0  0  0  0  0
    7.4567   -1.6104    1.0020 H   0  0  0  0  0
    7.5112   -3.8876   -0.5551 H   0  0  0  0  0
    8.5133   -3.7061    0.8953 H   0  0  0  0  0
   11.9847   -2.6052   -1.5432 H   0  0  0  0  0
   12.8150   -0.2740   -1.1931 H   0  0  0  0  0
   11.3487    1.4349   -0.2804 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  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  7 11  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  8 31  1  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
  9 33  1  0  0  0
 10 11  1  0  0  0
 10 12  1  0  0  0
 11 34  1  0  0  0
 11 35  1  0  0  0
 12 20  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 17  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 14 37  1  0  0  0
 15 16  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
 19 20  2  0  0  0
 19 41  1  0  0  0
 20 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL341705

>  <PubChem CID>
44357899

>  <Formula>
C16H22N2O2

>  <Molecular Weight>
274.364000

>  <IUPAC Name>
N-[(3R)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]butanamide

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCC(=O)NC1CCN(C1)C2=C3CCOC3=CC=C2

>  <Isomeric SMILES>
CCCC(=O)N[C@@H]1CCN(C1)C2=C3CCOC3=CC=C2

>  <InChI Std. ID>
InChI=1S/C16H22N2O2/c1-2-4-16(19)17-12-7-9-18(11-12)14-5-3-6-15-13(14)8-10-20-15/h3,5-6,12H,2,4,7-11H2,1H3,(H,17,19)/t12-/m1/s1

>  <InChI Key>
AUJCIORXQAONNC-GFCCVEGCSA-N

