Nonivamide

C₁₇H₂₇NO₃CAS 2444-46-4293.41 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₇H₂₇NO₃
Molar mass: 293.41 g/mol
Exact mass: 293.1991 Da
Melting point: 57–59 °C
Boiling point: 200–210 °C (at 0.05 Torr)
logP: 4.61Crippen estimate
Polar surface area: 62.0 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 10

Hazards

Danger

H301 Toxic if swallowed85.7% of notifiers
H315 Causes skin irritation99.6% of notifiers
H317 May cause an allergic skin reaction89.2% of notifiers
H318 Causes serious eye damage85.7% of notifiers
H319 Causes serious eye irritation14% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled85.7% of notifiers
H335 May cause respiratory irritation14.1% of notifiers

Aggregated from 1,513 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number

2444-46-4

SMILES

CCCCCCCCC(O)=NCc1ccc(O)c(OC)c1

InChIKey

RGOVYLWUIBMPGK-UHFFFAOYSA-N

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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

18 names · show all

Nonanamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-
Nonanamide, N-vanillyl-
N-[(4-Hydroxy-3-methoxyphenyl)methyl]nonanamide
Nonanoic acid vanillylamide
Pelargonic acid vanillylamide
N-Vanillylnonanamide
N-Vanillylpelargonamide
Vanillyl n-nonylamide
Vanillyl pelargonic amide
N-Vanillylnonamide
Nonylic acid vanillylamide
Nonylic vanillylamide
AH 23491X
Pseudocapsaicin
N-(4-Hydroxy-3-methoxybenzyl)nonamide
Nonanoylvanillyl amide
8-Nordihydrocapsaicin
NSC 172795

Work with Nonivamide

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

Dihydrocapsaicin19408-84-575 % similar Zucapsaicin25775-90-066 % similar Capsaicin404-86-466 % similar Paradol27113-22-060 % similar N-(Phenylmethyl)hexadecanamide74058-71-256 % similar 4-Propylguaiacol2785-87-753 % similar Vanillyl butyl ether82654-98-653 % similar [8]-Shogaol36700-45-552 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Nordihydrocapsaicin28789-35-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia