chempirical

N-tert-Butylbenzamide

C11H15NOCAS 5894-65-5177.25 g/mol

Open in Covalent MOL file
NHO
Amide

Properties

Molecular formula
C11H15NO
Molar mass
177.25 g/mol
Exact mass
177.1154 Da
logP
2.21Crippen estimate
Polar surface area
29.1 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
5894-65-5
SMILES
CC(C)(C)NC(=O)C1=CC=CC=C1
InChIKey
HYWWTHOGCJXTRI-UHFFFAOYSA-N
InChI
InChI=1S/C11H15NO/c1-11(2,3)12-10(13)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,12,13)

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Names and synonyms

1 names
  • N-t-Butylbenzamide

Work with N-tert-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

2-Amino-N-tert-butylbenzamide1203-89-056 % similar 2,2-Dimethyl-1-phenyl-1-propanone938-16-945 % similar N-tert-Butyl-1H-indazole-7-carboxamide1476776-76-744 % similar Sodium hippurate532-94-542 % similar N-(4-Aminophenyl)benzamide17625-83-142 % similar 2-Bromoisobutyrophenone10409-54-841 % similar 3,3-Dimethyl-1,5-diphenylpentane-1,5-dione42052-44-841 % similar 2-Hydroxy-2-methyl-1-phenylpropan-1-one7473-98-541 % 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-N-Butylbenzamide107377-07-1 4-(Diethylamino)benzaldehyde120-21-8 N,N-Diethylbenzamide1696-17-9 1-Propanol,2-methyl-2-[(phenylmethylene)amino]-22563-90-2 4-Phenoxypiperidine3202-33-3

Elsewhere

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