chempirical

2-Acetyl-4-butyramidophenol

C12H15NO3CAS 40188-45-2221.26 g/mol

Open in Covalent MOL file
OHNOHO
KetonePhenol

Properties

Molecular formula
C12H15NO3
Molar mass
221.26 g/mol
Exact mass
221.1052 Da
Melting point
118–119 °C
logP
2.98Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

Identifiers

CAS number
40188-45-2
SMILES
CCCC(O)=Nc1ccc(O)c(C(C)=O)c1
InChIKey
FGWZEOPEZISTTR-UHFFFAOYSA-N
InChI
InChI=1S/C12H15NO3/c1-3-4-12(16)13-9-5-6-11(15)10(7-9)8(2)14/h5-7,15H,3-4H2,1-2H3,(H,13,16)

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Names and synonyms

4 names
  • Butanamide, N-(3-acetyl-4-hydroxyphenyl)-
  • N-(3-Acetyl-4-hydroxyphenyl)butanamide
  • 3′-Acetyl-4′-hydroxybutyranilide
  • N-(3-Acetyl-4-hydroxyphenyl)butyramide

Work with 2-Acetyl-4-butyramidophenol

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

Acebutolol37517-30-954 % similar Acebutolol hydrochloride34381-68-552 % similar 5′-Fluoro-2′-hydroxyacetophenone394-32-150 % similar 2′-Hydroxy-5′-methylacetophenone1450-72-248 % similar 5′-Chloro-2′-hydroxyacetophenone1450-74-447 % similar 5′-Bromo-2′-hydroxyacetophenone1450-75-547 % similar 2′-Hydroxy-5′-methoxyacetophenone705-15-745 % similar 4,6-Diacetylresorcinol2161-85-544 % similar

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

Same formula

(R)-(-)-1-CBZ-3-pyrrolidinol100858-33-1 Benzyl (1-(hydroxymethyl)cyclopropyl)carbamate103500-22-7 N-(4-Ethoxyphenyl)-3-oxobutanamide122-82-7 Carbofuran1563-66-2 Metaxalone1665-48-1

Elsewhere

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