
 2-phenyl-N-(2-phenylethyl)butanamide

 41 42  0  0  0  0  0  0  0  0999 V2000
    1.8080    5.7829    1.1779 C   0  0  0  0  0
    0.9648    5.2695    0.0155 C   0  0  0  0  0
    1.0496    3.7369   -0.1358 C   0  0  0  0  0
   -0.0310    3.1990   -1.0654 C   0  0  0  0  0
   -0.8780    2.1656   -0.6336 C   0  0  0  0  0
   -1.8780    1.6681   -1.4712 C   0  0  0  0  0
   -2.0471    2.1981   -2.7481 C   0  0  0  0  0
   -1.2087    3.2176   -3.1934 C   0  0  0  0  0
   -0.2024    3.7107   -2.3609 C   0  0  0  0  0
    2.4436    3.2931   -0.6022 C   0  0  0  0  0
    3.2055    4.0067   -1.2482 O   0  0  0  0  0
    2.7737    2.0125   -0.2033 N   0  0  0  0  0
    4.0507    1.4084   -0.5337 C   0  0  0  0  0
    4.0658    0.7443   -1.9134 C   0  0  0  0  0
    3.0630   -0.3784   -2.0619 C   0  0  0  0  0
    3.1121   -1.5104   -1.2359 C   0  0  0  0  0
    2.1858   -2.5431   -1.3926 C   0  0  0  0  0
    1.2096   -2.4616   -2.3834 C   0  0  0  0  0
    1.1553   -1.3451   -3.2145 C   0  0  0  0  0
    2.0758   -0.3084   -3.0545 C   0  0  0  0  0
    1.7208    6.8711    1.2539 H   0  0  0  0  0
    2.8668    5.5413    1.0458 H   0  0  0  0  0
    1.4724    5.3502    2.1257 H   0  0  0  0  0
    1.2872    5.7769   -0.9016 H   0  0  0  0  0
   -0.0766    5.5674    0.1925 H   0  0  0  0  0
    0.8894    3.3076    0.8636 H   0  0  0  0  0
   -0.7716    1.7410    0.3618 H   0  0  0  0  0
   -2.5292    0.8696   -1.1249 H   0  0  0  0  0
   -2.8314    1.8165   -3.3967 H   0  0  0  0  0
   -1.3392    3.6325   -4.1895 H   0  0  0  0  0
    0.4465    4.5011   -2.7336 H   0  0  0  0  0
    2.0188    1.3880    0.0542 H   0  0  0  0  0
    4.2715    0.6850    0.2579 H   0  0  0  0  0
    4.8253    2.1827   -0.4970 H   0  0  0  0  0
    5.0655    0.3368   -2.1081 H   0  0  0  0  0
    3.8877    1.5063   -2.6823 H   0  0  0  0  0
    3.8758   -1.6020   -0.4677 H   0  0  0  0  0
    2.2304   -3.4161   -0.7465 H   0  0  0  0  0
    0.4943   -3.2694   -2.5119 H   0  0  0  0  0
    0.3995   -1.2807   -3.9929 H   0  0  0  0  0
    2.0168    0.5565   -3.7129 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 10  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  6  7  2  0  0  0
  6 28  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  8  9  2  0  0  0
  8 30  1  0  0  0
  9 31  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 13 14  1  0  0  0
 13 33  1  0  0  0
 13 34  1  0  0  0
 14 15  1  0  0  0
 14 35  1  0  0  0
 14 36  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 37  1  0  0  0
 17 18  2  0  0  0
 17 38  1  0  0  0
 18 19  1  0  0  0
 18 39  1  0  0  0
 19 20  2  0  0  0
 19 40  1  0  0  0
 20 41  1  0  0  0
M  END

>  <Chemical Name>
2-phenyl-N-(2-phenylethyl)butanamide

>  <PubChem CID>
2905215

>  <Formula>
C18H21NO

>  <Molecular Weight>
267.372000

>  <IUPAC Name>
2-phenyl-N-(2-phenylethyl)butanamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CCC(C1=CC=CC=C1)C(=O)NCCC2=CC=CC=C2

>  <Isomeric SMILES>
CCC(C1=CC=CC=C1)C(=O)NCCC2=CC=CC=C2

>  <InChI Std. ID>
InChI=1S/C18H21NO/c1-2-17(16-11-7-4-8-12-16)18(20)19-14-13-15-9-5-3-6-10-15/h3-12,17H,2,13-14H2,1H3,(H,19,20)

>  <InChI Key>
AAGUMKOIXWDPIV-UHFFFAOYSA-N

