chempirical

Butylacetanilide

C12H17NOCAS 91-49-6191.27 g/mol

Open in Covalent MOL file
NO
Amide

Properties

Molecular formula
C12H17NO
Molar mass
191.27 g/mol
Exact mass
191.1310 Da
Density
0.9912 g/mL (at 20 °C)
Melting point
24.5 °C
Boiling point
281 °C
logP
2.84Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Identifiers

CAS number
91-49-6
SMILES
CCCCN(C(C)=O)c1ccccc1
InChIKey
ZWDZJRRQSXLOQR-UHFFFAOYSA-N
InChI
InChI=1S/C12H17NO/c1-3-4-10-13(11(2)14)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • Acetamide, N-butyl-N-phenyl-
  • Acetanilide, N-butyl-
  • N-Butyl-N-phenylacetamide
  • BAA
  • N-Butylacetanilide
  • N-n-Butylacetanilide
  • NSC 7662

Work with Butylacetanilide

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N,N-Dibutylbenzenamine613-29-653 % similar N,N-Diphenylacetamide519-87-950 % similar 1-Phenyl-2-pyrrolidinone4641-57-049 % similar N-Methylacetanilide579-10-247 % similar Centralite85-98-347 % similar N-Butylphthalimide1515-72-646 % similar Phenylbutazone50-33-945 % similar 1-Acetylindoline16078-30-145 % similar

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

Same formula

Deet134-62-3 1-Benzyl-3-hydroxypiperidine14813-01-5 1-Benzyl-4-hydroxypiperidine4727-72-4 4-(Phenylmethyl)-4-piperidinol51135-96-7 (3R)-1-(Phenylmethyl)-3-piperidinol91599-81-4 4-(Diethylamino)-2-methylbenzaldehyde92-14-8

Elsewhere

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