
 (2E,4E)-N-isobutyltetradeca-2,4-dienamide

 53 52  0  0  0  0  0  0  0  0999 V2000
    1.7838    0.5496   -1.1894 C   0  0  0  0  0
    3.0048    1.4545   -1.1673 C   0  0  0  0  0
    4.0698    0.9817   -2.1581 C   0  0  0  0  0
    5.2905    1.9032   -2.2164 C   0  0  0  0  0
    6.0724    1.9416   -0.9036 C   0  0  0  0  0
    7.3114    2.8277   -1.0200 C   0  0  0  0  0
    8.0437    2.9055    0.3190 C   0  0  0  0  0
    9.3677    3.6613    0.2344 C   0  0  0  0  0
    9.2129    5.1546   -0.0848 C   0  0  0  0  0
   10.4954    5.9493   -0.1027 C   0  0  0  0  0
   11.7284    5.4457    0.0498 C   0  0  0  0  0
   12.9341    6.2373    0.0306 C   0  0  0  0  0
   14.1390    5.6703    0.1860 C   0  0  0  0  0
   15.3697    6.4937    0.1742 C   0  0  0  0  0
   15.3561    7.7026    0.0016 O   0  0  0  0  0
   16.5001    5.7431    0.3932 N   0  0  0  0  0
   17.8129    6.3472    0.4825 C   0  0  0  0  0
   18.2680    6.5504    1.9357 C   0  0  0  0  0
   19.7149    7.0446    1.9547 C   0  0  0  0  0
   17.3736    7.5327    2.6949 C   0  0  0  0  0
    1.0320    0.9133   -0.4820 H   0  0  0  0  0
    2.0513   -0.4730   -0.9045 H   0  0  0  0  0
    1.3310    0.5238   -2.1853 H   0  0  0  0  0
    3.4056    1.4655   -0.1484 H   0  0  0  0  0
    2.7009    2.4794   -1.4094 H   0  0  0  0  0
    3.6297    0.9314   -3.1617 H   0  0  0  0  0
    4.3904   -0.0355   -1.9020 H   0  0  0  0  0
    4.9731    2.9169   -2.4896 H   0  0  0  0  0
    5.9518    1.5520   -3.0184 H   0  0  0  0  0
    6.3722    0.9243   -0.6239 H   0  0  0  0  0
    5.4398    2.3277   -0.0973 H   0  0  0  0  0
    7.0088    3.8306   -1.3409 H   0  0  0  0  0
    7.9817    2.4260   -1.7893 H   0  0  0  0  0
    8.2563    1.8882    0.6711 H   0  0  0  0  0
    7.3985    3.3724    1.0729 H   0  0  0  0  0
   10.0023    3.1799   -0.5204 H   0  0  0  0  0
    9.8756    3.5496    1.2010 H   0  0  0  0  0
    8.5438    5.6101    0.6553 H   0  0  0  0  0
    8.7379    5.2794   -1.0643 H   0  0  0  0  0
   10.3703    7.0207   -0.2578 H   0  0  0  0  0
   11.8639    4.3776    0.1990 H   0  0  0  0  0
   12.8449    7.3133   -0.1098 H   0  0  0  0  0
   14.2437    4.6020    0.3277 H   0  0  0  0  0
   16.4256    4.7499    0.5597 H   0  0  0  0  0
   17.8224    7.2961   -0.0653 H   0  0  0  0  0
   18.4975    5.6613   -0.0294 H   0  0  0  0  0
   18.2285    5.5858    2.4581 H   0  0  0  0  0
   19.8123    8.0041    1.4351 H   0  0  0  0  0
   20.3778    6.3243    1.4637 H   0  0  0  0  0
   20.0689    7.1777    2.9822 H   0  0  0  0  0
   17.3140    8.4970    2.1794 H   0  0  0  0  0
   17.7609    7.7114    3.7036 H   0  0  0  0  0
   16.3576    7.1399    2.8043 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  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
  9 39  1  0  0  0
 10 11  2  0  0  0
 10 40  1  0  0  0
 11 12  1  0  0  0
 11 41  1  0  0  0
 12 13  2  0  0  0
 12 42  1  0  0  0
 13 14  1  0  0  0
 13 43  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16 44  1  0  0  0
 17 18  1  0  0  0
 17 45  1  0  0  0
 17 46  1  0  0  0
 18 20  1  0  0  0
 18 19  1  0  0  0
 18 47  1  0  0  0
 19 48  1  0  0  0
 19 49  1  0  0  0
 19 50  1  0  0  0
 20 51  1  0  0  0
 20 52  1  0  0  0
 20 53  1  0  0  0
M  END

>  <Chemical Name>
(2E,4E)-N-isobutyltetradeca-2,4-dienamide

>  <PubChem CID>
10731388

>  <Formula>
C18H33NO

>  <Molecular Weight>
279.468000

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

>  <XlogP>
6.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

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

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

>  <InChI Std. ID>
InChI=1S/C18H33NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h12-15,17H,4-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+

>  <InChI Key>
AGJAUFUNZWHLKE-SQIWNDBBSA-N

