Home > Compound List > Compound details
58493-48-4 molecular structure
click picture or here to close

N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyldec-6-enamide

ChemBase ID: 127712
Molecular Formular: C19H29NO3
Molecular Mass: 319.43846
Monoisotopic Mass: 319.21474379
SMILES and InChIs

SMILES:
O=C(NCc1cc(OC)c(O)cc1)CCCC/C=C/C(C)CC
Canonical SMILES:
CCC(/C=C/CCCCC(=O)NCc1ccc(c(c1)OC)O)C
InChI:
InChI=1S/C19H29NO3/c1-4-15(2)9-7-5-6-8-10-19(22)20-14-16-11-12-17(21)18(13-16)23-3/h7,9,11-13,15,21H,4-6,8,10,14H2,1-3H3,(H,20,22)
InChIKey:
MLJGZARGNROKAC-UHFFFAOYSA-N

Cite this record

CBID:127712 http://www.chembase.cn/molecule-127712.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyldec-6-enamide
IUPAC Traditional name
N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyldec-6-enamide
Synonyms
Homocapsaicin
N-Vanillyl-9-methyldec-7-(E)-enamidn
trans-N-Vanillyl-9-methyldec-7-enamidn
N-(4-Hydroxy-3-methoxybenzyl)-9-methyldec-trans-7-enamidn
Vanillylamide of 9-methyldec-trans-7-enoic acin
HC
Homocapsaicin
CAS Number
58493-48-4
PubChem SID
162222030
PubChem CID
11674147
Chemspider ID
9848876
Wikipedia Title
Homocapsaicin

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.928692  H Acceptors
H Donor LogD (pH = 5.5) 4.1942215 
LogD (pH = 7.4) 4.192963  Log P 4.194238 
Molar Refractivity 94.9184 cm3 Polarizability 36.513744 Å3
Polar Surface Area 58.56 Å2 Rotatable Bonds 10 
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle