chempirical

N-[3-[3-(Dimethylamino)-1-oxo-2-propenyl]phenyl]-N-ethylacetamide

C15H20N2O2CAS 96605-66-2260.34 g/mol

Open in Covalent MOL file
NOON
AlkeneAmideKetoneTertiary amine

Properties

Molecular formula
C15H20N2O2
Molar mass
260.34 g/mol
Exact mass
260.1525 Da
logP
2.32Crippen estimate
Polar surface area
40.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
5

Identifiers

CAS number
96605-66-2
SMILES
CCN(C(C)=O)c1cccc(C(=O)C=CN(C)C)c1
InChIKey
UXWJJVRASIHSQS-UHFFFAOYSA-N
InChI
InChI=1S/C15H20N2O2/c1-5-17(12(2)18)14-8-6-7-13(11-14)15(19)9-10-16(3)4/h6-11H,5H2,1-4H3

Weigh it out

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

Names and synonyms

5 names
  • Acetamide, N-[3-[3-(dimethylamino)-1-oxo-2-propen-1-yl]phenyl]-N-ethyl-
  • Acetamide, N-[3-[3-(dimethylamino)-1-oxo-2-propenyl]phenyl]-N-ethyl-
  • N-[3-[3-(Dimethylamino)-1-oxo-2-propen-1-yl]phenyl]-N-ethylacetamide
  • 3-Dimethylamino-1-(3-N-ethyl-N-acetylaminophenyl)-2-propen-1-one
  • N-[3-(3-Dimethylaminoacryloyl)phenyl]-N-ethylacetamide

Work with N-[3-[3-(Dimethylamino)-1-oxo-2-propenyl]phenyl]-N-ethylacetamide

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

3-Dimethylamino-1-(3-pyridyl)-2-propen-1-one55314-16-445 % similar Zaleplon151319-34-537 % similar Butylacetanilide91-49-636 % similar Centralite85-98-335 % similar N-Methylacetanilide579-10-233 % similar 3-(Dimethylamino)benzoic acid99-64-932 % similar N,N-Diphenylacetamide519-87-931 % similar 3-(4-Methyl-1-piperazinyl)benzoic acid215309-01-631 % similar

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

Same formula

Fenspiride5053-06-5 N-[3-(Di-2-propen-1-ylamino)-4-methoxyphenyl]acetamide51868-45-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook