chempirical

Ibuprofen piconol

C19H23NO2CAS 64622-45-3297.40 g/mol

Open in Covalent MOL file
OON
Ester

Properties

Molecular formula
C19H23NO2
Molar mass
297.40 g/mol
Exact mass
297.1729 Da
logP
4.13Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
6

Identifiers

CAS number
64622-45-3
SMILES
CC(C)Cc1ccc(C(C)C(=O)OCc2ccccn2)cc1
InChIKey
ACEWLPOYLGNNHV-UHFFFAOYSA-N
InChI
InChI=1S/C19H23NO2/c1-14(2)12-16-7-9-17(10-8-16)15(3)19(21)22-13-18-6-4-5-11-20-18/h4-11,14-15H,12-13H2,1-3H3

Weigh it out

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

Names and synonyms

6 names
  • Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, 2-pyridinylmethyl ester
  • Pimeprofen
  • BE 100
  • U 75630
  • Staderm
  • Vesicum

Work with Ibuprofen piconol

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-Isobutylpyridine6304-24-147 % similar Ibuprofen15687-27-146 % similar (+)-Ibuprofen51146-56-646 % similar (-)-Ibuprofen51146-57-746 % similar Ibuprofen58560-75-146 % similar 2-(Methoxymethyl)pyridine23579-92-238 % similar Methyl 2-pyridineacetate1658-42-036 % similar 1,3-Diethyl 2-(phenylmethyl)propanedioate607-81-836 % similar

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

Elsewhere

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