N-(4-Ethoxyphenyl)-3-oxobutanamide

C₁₂H₁₅NO₃CAS 122-82-7221.26 g/mol

Open in Covalent MOL file

Amide Ether Ketone

Properties

Molecular formula: C₁₂H₁₅NO₃
Molar mass: 221.26 g/mol
Exact mass: 221.1052 Da
Melting point: 104–105 °C
logP: 2.00Crippen estimate
Polar surface area: 55.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 5

Identifiers

CAS number

122-82-7

SMILES

CCOc1ccc(NC(=O)CC(C)=O)cc1

InChIKey

WWROGCAUSKGAMX-UHFFFAOYSA-N

InChI

InChI=1S/C12H15NO3/c1-3-16-11-6-4-10(5-7-11)13-12(15)8-9(2)14/h4-7H,3,8H2,1-2H3,(H,13,15)

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Names and synonyms

6 names

Butanamide, N-(4-ethoxyphenyl)-3-oxo-
p-Acetoacetophenetidide
Acetoacetic acid p-phenetidide
4′-Ethoxyacetoacetanilide
NSC 50630
3-Oxo-N-(4′-ethoxyphenyl)butanamide

Work with N-(4-Ethoxyphenyl)-3-oxobutanamide

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,N′-1,4-Phenylenebis[3-oxobutanamide]24731-73-571 % similar N-(4-Methoxyphenyl)-3-oxobutanamide5437-98-969 % similar N-(4-Methylphenyl)-3-oxobutanamide2415-85-262 % similar N-(4-Chlorophenyl)-3-oxobutanamide101-92-860 % similar 1-(4-Ethoxyphenyl)ethanone1676-63-746 % similar 1,4-Diethoxybenzene122-95-244 % similar N-(4-Ethoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide4711-68-643 % similar 4-Ethoxybenzamide55836-71-043 % 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 Carbofuran1563-66-2 Metaxalone1665-48-1 2-Acetyl-4-butyramidophenol40188-45-2

Elsewhere

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