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

C₁₅H₂₀N₂O₂CAS 96605-66-2260.34 g/mol

Open in Covalent MOL file

Alkene Amide Ketone Tertiary 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 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 5

Hazards

Danger

H302 Harmful if swallowed33.3% of notifiers
H314 Causes severe skin burns and eye damage66.7% of notifiers
H318 Causes serious eye damage66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, P501

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

6 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
N-(3-(3-(Dimethylamino)-1-oxo-2-propenyl)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

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