
 N-Isobutyl-2,4,8,10,12-tetradecapentaenamide

 47 46  0  0  0  0  0  0  0  0999 V2000
    6.7089   -3.3353   -2.6906 C   0  0  0  0  0
    6.7754   -1.8807   -2.3556 C   0  0  0  0  0
    6.3375   -0.9069   -3.1673 C   0  0  0  0  0
    6.3803    0.5025   -2.8483 C   0  0  0  0  0
    7.4706    1.1384   -2.3939 C   0  0  0  0  0
    7.5034    2.5581   -2.1229 C   0  0  0  0  0
    8.6395    3.2026   -1.8157 C   0  0  0  0  0
    8.7324    4.6828   -1.5476 C   0  0  0  0  0
    9.3588    5.0242   -0.1854 C   0  0  0  0  0
   10.8201    4.6670   -0.1027 C   0  0  0  0  0
   11.8073    5.5465    0.1303 C   0  0  0  0  0
   13.2158    5.2127    0.1444 C   0  0  0  0  0
   13.7264    4.0487    0.5731 C   0  0  0  0  0
   15.1863    3.8057    0.4959 C   0  0  0  0  0
   16.0106    4.7081    0.4764 O   0  0  0  0  0
   15.4811    2.4672    0.4139 N   0  0  0  0  0
   16.8386    1.9767    0.2976 C   0  0  0  0  0
   17.4691    1.6631    1.6617 C   0  0  0  0  0
   16.6750    0.5978    2.4219 C   0  0  0  0  0
   18.9129    1.1965    1.4700 C   0  0  0  0  0
    7.7145   -3.7665   -2.6744 H   0  0  0  0  0
    6.2778   -3.5137   -3.6808 H   0  0  0  0  0
    6.0970   -3.8611   -1.9514 H   0  0  0  0  0
    7.2041   -1.6328   -1.3870 H   0  0  0  0  0
    5.8749   -1.1566   -4.1204 H   0  0  0  0  0
    5.4696    1.0562   -3.0665 H   0  0  0  0  0
    8.3896    0.5795   -2.2281 H   0  0  0  0  0
    6.5659    3.1062   -2.1875 H   0  0  0  0  0
    9.5744    2.6474   -1.7885 H   0  0  0  0  0
    7.7330    5.1338   -1.5902 H   0  0  0  0  0
    9.3198    5.1445   -2.3510 H   0  0  0  0  0
    8.8226    4.5000    0.6151 H   0  0  0  0  0
    9.2258    6.0981   -0.0038 H   0  0  0  0  0
   11.0574    3.6169   -0.2496 H   0  0  0  0  0
   11.5780    6.6033    0.2568 H   0  0  0  0  0
   13.8847    5.9932   -0.2191 H   0  0  0  0  0
   13.1031    3.2542    0.9605 H   0  0  0  0  0
   14.7326    1.7886    0.4128 H   0  0  0  0  0
   17.4409    2.7234   -0.2328 H   0  0  0  0  0
   16.7989    1.0771   -0.3271 H   0  0  0  0  0
   17.4797    2.5769    2.2694 H   0  0  0  0  0
   16.5870   -0.3246    1.8377 H   0  0  0  0  0
   15.6646    0.9492    2.6554 H   0  0  0  0  0
   17.1636    0.3523    3.3708 H   0  0  0  0  0
   18.9572    0.2797    0.8717 H   0  0  0  0  0
   19.3885    0.9933    2.4352 H   0  0  0  0  0
   19.5056    1.9628    0.9596 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  2  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  4  5  2  0  0  0
  4 26  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  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  2  0  0  0
 10 34  1  0  0  0
 11 12  1  0  0  0
 11 35  1  0  0  0
 12 13  2  0  0  0
 12 36  1  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16 38  1  0  0  0
 17 18  1  0  0  0
 17 39  1  0  0  0
 17 40  1  0  0  0
 18 20  1  0  0  0
 18 19  1  0  0  0
 18 41  1  0  0  0
 19 42  1  0  0  0
 19 43  1  0  0  0
 19 44  1  0  0  0
 20 45  1  0  0  0
 20 46  1  0  0  0
 20 47  1  0  0  0
M  END

>  <Chemical Name>
N-Isobutyl-2,4,8,10,12-tetradecapentaenamide

>  <PubChem CID>
5318518

>  <Formula>
C18H27NO

>  <Molecular Weight>
273.420000

>  <IUPAC Name>
(2E,4E,8E,10E,12E)-N-(2-methylpropyl)tetradeca-2,4,8,10,12-pentaenamide

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

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

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

>  <InChI Std. ID>
InChI=1S/C18H27NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h4-9,12-15,17H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,7-6+,9-8+,13-12+,15-14+

>  <InChI Key>
KVUKDCFEXVWYBN-FMBIJHKPSA-N

