chempirical

N-Ethyl-P-menthane-3-carboxamide

C13H25NOCAS 39711-79-0211.35 g/mol

Open in Covalent MOL file
NHO

Properties

Molecular formula
C13H25NO
Molar mass
211.35 g/mol
Exact mass
211.1936 Da
Melting point
88 °C
logP
3.67Crippen estimate
Polar surface area
32.6 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Identifiers

CAS number
39711-79-0
SMILES
CCN=C(O)C1CC(C)CCC1C(C)C
InChIKey
VUNOFAIHSALQQH-UHFFFAOYSA-N
InChI
InChI=1S/C13H25NO/c1-5-14-13(15)12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3,(H,14,15)

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Names and synonyms

8 names
  • Cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl)-
  • N-Ethyl-5-methyl-2-(1-methylethyl)cyclohexanecarboxamide
  • WS 3 (amide)
  • WS 3
  • Ethyl menthane carboxamide
  • Cooling sensate WS 3
  • FEMA 3455
  • N-Ethyl-p-menthanecarboxamide

Work with N-Ethyl-P-menthane-3-carboxamide

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

N-[[(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl]carbonyl]glycine ethyl ester68489-14-561 % similar Menthol1490-04-642 % similar (+)-Menthol15356-60-242 % similar (±)-Menthol15356-70-442 % similar Menthol2216-51-542 % similar (+)-Neomenthol2216-52-642 % similar (+)-Isomenthol23283-97-842 % similar (±)-Menthol89-78-142 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Dodecyl isocyanate4202-38-4 N,N,N-Trimethyl-1-adamantammonium hydroxide53075-09-5

Elsewhere

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