Skip Navigation Links
ScientificNameLabel
Pelargonic acid vanillylamide
PHCD compound ID : 3998
Chemical Names :
Pelargonic acid vanillylamide
Molecular Formula : C17H27N1O3
Molecular Weight : 293.199094
More Details :
Names & Synonyms: N-[(4-hydroxy-3-methoxy-phenyl)methyl]nonanamide , N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide , N-[(3-methoxy-4-oxidanyl-phenyl)methyl]nonanamide , N-vanillylpelargonamide
Smiles: CCCCCCCCC(=O)NCc1ccc(c(c1)OC)O
InChi : InChI=1S/C17H27NO3/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2/h10-12,19H,3-9,13H2,1-2H3,(H,18,20)
InChi Key : InChIKey=RGOVYLWUIBMPGK-UHFFFAOYSA-N
PubChem ID : 2998
Rotatable bond count : 11 Rule of five : 1
Hydrogen bond acceptor count : 4 Ionization potential : 8.558060
Hydrogen bond donor count : 2 Electric dipole moment : 3.343
XLogP : 3.995 VDW volume : 306.153344
Molecular weight : 293.199094 HOMO-LUMO gap : 8.668000
Herb list :
Refrences & Litretures:
  
546.      Journal:'Food Chemistry'      Year:'2007'      Volume:'102'      Page:'1096'      DOI:'10.1016/j.foodchem.2006.06.047'      Title:'Chemical and biological variability of hot pepper fruits (Capsicum annuum var. acuminatum L.) in relation to maturity stage'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us