
 UNII-5F4WO3BVS9

 47 46  0  0  0  0  0  0  0  0999 V2000
   10.6546    1.3304    2.9255 C   0  0  0  0  0
    9.2859    1.7696    2.4285 C   0  0  0  0  0
    8.9034    1.0505    1.1346 C   0  0  0  0  0
    7.5115    1.4300    0.6162 C   0  0  0  0  0
    7.3105    2.9111    0.2739 C   0  0  0  0  0
    8.2541    3.4017   -0.8253 C   0  0  0  0  0
    8.0123    4.8756   -1.1722 C   0  0  0  0  0
    8.8963    5.4516   -2.2509 C   0  0  0  0  0
    9.8034    4.7831   -2.9792 C   0  0  0  0  0
   10.6186    5.4037   -3.9975 C   0  0  0  0  0
   11.4912    4.7015   -4.7342 C   0  0  0  0  0
   12.3082    5.3754   -5.7726 C   0  0  0  0  0
   12.3035    6.5888   -5.9344 O   0  0  0  0  0
   13.0406    4.4899   -6.5265 N   0  0  0  0  0
   13.8636    4.9246   -7.6369 C   0  0  0  0  0
   13.1640    4.7442   -8.9934 C   0  0  0  0  0
   11.9303    5.6382   -9.1336 C   0  0  0  0  0
   14.1485    5.0383  -10.1265 C   0  0  0  0  0
   10.8981    1.8406    3.8628 H   0  0  0  0  0
   11.4323    1.5748    2.1947 H   0  0  0  0  0
   10.6806    0.2516    3.1086 H   0  0  0  0  0
    9.3053    2.8534    2.2744 H   0  0  0  0  0
    8.5375    1.5620    3.2019 H   0  0  0  0  0
    8.9166   -0.0325    1.3113 H   0  0  0  0  0
    9.6588    1.2404    0.3637 H   0  0  0  0  0
    6.7632    1.1415    1.3645 H   0  0  0  0  0
    7.3008    0.8289   -0.2774 H   0  0  0  0  0
    7.4274    3.5265    1.1727 H   0  0  0  0  0
    6.2739    3.0470   -0.0592 H   0  0  0  0  0
    8.1105    2.7795   -1.7173 H   0  0  0  0  0
    9.2940    3.2815   -0.5012 H   0  0  0  0  0
    8.1536    5.4799   -0.2673 H   0  0  0  0  0
    6.9690    5.0097   -1.4829 H   0  0  0  0  0
    8.7556    6.5176   -2.4280 H   0  0  0  0  0
    9.9547    3.7181   -2.8207 H   0  0  0  0  0
   10.5048    6.4737   -4.1598 H   0  0  0  0  0
   11.6235    3.6362   -4.5958 H   0  0  0  0  0
   12.9584    3.4972   -6.3601 H   0  0  0  0  0
   14.7698    4.3095   -7.6009 H   0  0  0  0  0
   14.1652    5.9681   -7.4902 H   0  0  0  0  0
   12.8374    3.7004   -9.0880 H   0  0  0  0  0
   12.1822    6.6918   -8.9726 H   0  0  0  0  0
   11.1548    5.3580   -8.4139 H   0  0  0  0  0
   11.4930    5.5441  -10.1334 H   0  0  0  0  0
   14.5118    6.0706  -10.0784 H   0  0  0  0  0
   13.6747    4.8907  -11.1028 H   0  0  0  0  0
   15.0148    4.3706  -10.0723 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  5 29  1  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  7 33  1  0  0  0
  8  9  2  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
 10 11  2  0  0  0
 10 36  1  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 15 16  1  0  0  0
 15 39  1  0  0  0
 15 40  1  0  0  0
 16 18  1  0  0  0
 16 17  1  0  0  0
 16 41  1  0  0  0
 17 42  1  0  0  0
 17 43  1  0  0  0
 17 44  1  0  0  0
 18 45  1  0  0  0
 18 46  1  0  0  0
 18 47  1  0  0  0
M  END

>  <Chemical Name>
UNII-5F4WO3BVS9

>  <PubChem CID>
6443006

>  <Formula>
C16H29NO

>  <Molecular Weight>
251.414000

>  <IUPAC Name>
(2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CCCCCCCC=CC=CC(=O)NCC(C)C

>  <Isomeric SMILES>
CCCCCCC/C=C/C=C/C(=O)NCC(C)C

>  <InChI Std. ID>
InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+

>  <InChI Key>
BBRMJCAPNGJKEM-AQASXUMVSA-N

