chempirical

Ws-12

C18H27NO2CAS 68489-09-8289.42 g/mol

Open in Covalent MOL file
ONHO
AmideEther

Properties

Molecular formula
C18H27NO2
Molar mass
289.42 g/mol
Exact mass
289.2042 Da
logP
4.34Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4
Stereocentres
R, R, Sin SMILES atom order

Identifiers

CAS number
68489-09-8
SMILES
COc1ccc(NC(=O)[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1
InChIKey
HNSGVPAAXJJOPQ-XOKHGSTOSA-N
InChI
InChI=1S/C18H27NO2/c1-12(2)16-10-5-13(3)11-17(16)18(20)19-14-6-8-15(21-4)9-7-14/h6-9,12-13,16-17H,5,10-11H2,1-4H3,(H,19,20)/t13-,16+,17-/m1/s1

Weigh it out

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

Names and synonyms

6 names
  • Cyclohexanecarboxamide, N-(4-methoxyphenyl)-5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-
  • Cyclohexanecarboxamide, N-(4-methoxyphenyl)-5-methyl-2-(1-methylethyl)-, [1R-(1α,2β,5α)]-
  • (1R,2S,5R)-N-(4-Methoxyphenyl)-5-methyl-2-(1-methylethyl)cyclohexanecarboxamide
  • WS 12
  • [1R,2S,5R]-N-(4-Methoxyphenyl)-p-menthanecarboxamide
  • FEMA 4681

Work with Ws-12

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

2-Chloro-N-(4-methoxyphenyl)acetamide22303-36-242 % similar N-(4-Methoxyphenyl)-3-oxobutanamide5437-98-940 % similar (4-Methoxyphenyl)thiourea2293-07-439 % similar Cyclopropyl(4-methoxyphenyl)methanone7152-03-639 % similar Menthyl acetate16409-45-337 % similar Menthyl acetate2623-23-637 % similar (±)-Menthyl acetate89-48-537 % similar Menthyl lactate17162-29-736 % similar

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

Same formula

Dyclonine586-60-7

Elsewhere

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