Nordihydrocapsaicin

C17H27NO3CAS 28789-35-7293.41 g/mol

Open in Covalent MOL file
ONHOHO
EtherPhenol

Properties

Molecular formula
C17H27NO3
Molar mass
293.41 g/mol
Exact mass
293.1991 Da
Melting point
60–61 °C
logP
4.46Crippen estimate
Polar surface area
62.0 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
9

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
28789-35-7
SMILES
COc1cc(CN=C(O)CCCCCC(C)C)ccc1O
InChIKey
VQEONGKQWIFHMN-UHFFFAOYSA-N
InChI
InChI=1S/C17H27NO3/c1-13(2)7-5-4-6-8-17(20)18-12-14-9-10-15(19)16(11-14)21-3/h9-11,13,19H,4-8,12H2,1-3H3,(H,18,20)

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Names and synonyms

4 names
  • Octanamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyl-
  • Octanamide, 7-methyl-N-vanillyl-
  • N-[(4-Hydroxy-3-methoxyphenyl)methyl]-7-methyloctanamide
  • Norhydrocapsaicin

Work with Nordihydrocapsaicin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dihydrocapsaicin19408-84-5100 % similar Zucapsaicin25775-90-071 % similar Capsaicin404-86-471 % similar Dihydroferulic acid1135-23-545 % similar Tetrahydrocurcumin36062-04-145 % similar Paradol27113-22-044 % similar Homovanillic acid306-08-144 % similar (8)-Gingerol23513-08-843 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Nonivamide2444-46-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia