4-N-Butylbenzamide

C₁₁H₁₅NOCAS 107377-07-1177.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₅NO
Molar mass: 177.25 g/mol
Exact mass: 177.1154 Da
logP: 2.13Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 4

Identifiers

CAS number

107377-07-1

SMILES

CCCCC1=CC=C(C=C1)C(=O)N

InChIKey

KFINRIKJBULSTD-UHFFFAOYSA-N

InChI

InChI=1S/C11H15NO/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3,(H2,12,13)

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Names and synonyms

1 names

4-Butylbenzamide

Work with 4-N-Butylbenzamide

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

1-(4-Butylphenyl)ethanone37920-25-563 % similar 4-Butylbenzoic acid20651-71-261 % similar 4-Butylbenzoyl chloride28788-62-761 % similar 1-(4-Pentylphenyl)ethanone37593-02-556 % similar P-Octylacetophenone10541-56-754 % similar 4-Pentylbenzoic acid26311-45-554 % similar 1-(4-Hexylphenyl)ethanone37592-72-654 % similar 1-(4-Heptylphenyl)ethanone37593-03-654 % similar

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

Same formula

(3S)-1-(Phenylmethyl)-3-pyrrolidinol101385-90-4 (R)-(+)-1-Benzyl-3-pyrrolidinol101930-07-8 2-(3-Methoxyphenyl)pyrrolidine103861-77-4 4-(Diethylamino)benzaldehyde120-21-8 N,N-Diethylbenzamide1696-17-9 N-tert-Butyl-α-phenylnitrone3376-24-7 2-Amino-7-methoxytetralin4003-89-8 4-Hydroxy-4-phenylpiperidine40807-61-2

Elsewhere

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