N-[3-[(2-Cyanoethyl)amino]-4-methoxyphenyl]acetamide

C₁₂H₁₅N₃O₂CAS 26408-28-6233.27 g/mol

Open in Covalent MOL file

Ether Nitrile Secondary amine

Properties

Molecular formula: C₁₂H₁₅N₃O₂
Molar mass: 233.27 g/mol
Exact mass: 233.1164 Da
logP: 2.63Crippen estimate
Polar surface area: 77.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 5

Identifiers

CAS number

26408-28-6

SMILES

COc1ccc(N=C(C)O)cc1NCCC#N

InChIKey

OVTCINJDJPHUBX-UHFFFAOYSA-N

InChI

InChI=1S/C12H15N3O2/c1-9(16)15-10-4-5-12(17-2)11(8-10)14-7-3-6-13/h4-5,8,14H,3,7H2,1-2H3,(H,15,16)

Weigh it out

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

Names and synonyms

3 names

Acetamide, N-[3-[(2-cyanoethyl)amino]-4-methoxyphenyl]-
p-Acetanisidide, 3′-[(2-cyanoethyl)amino]-
5-Acetamido-N-(2-cyanoethyl)-2-methoxyaniline

Work with N-[3-[(2-Cyanoethyl)amino]-4-methoxyphenyl]acetamide

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

N-[3-[(2-Cyanoethyl)ethylamino]-4-methoxyphenyl]acetamide19433-94-459 % similar N-(3-Amino-4-methoxyphenyl)acetamide6375-47-951 % similar N-[3-(Diethylamino)-4-methoxyphenyl]acetamide19433-93-348 % similar N-[3-[Bis(2-hydroxyethyl)amino]-4-methoxyphenyl]acetamide24530-67-446 % similar N-[3-(Di-2-propen-1-ylamino)-4-methoxyphenyl]acetamide51868-45-245 % similar N-[3-[Bis[2-(acetyloxy)ethyl]amino]-4-methoxyphenyl]acetamide23128-51-044 % similar N-1,3-Benzodioxol-5-ylacetamide13067-19-144 % similar Methyl 4-acetamido-2-methoxybenzoate4093-29-243 % similar

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

Same formula

1,1-Dimethylethyl 5-amino-1H-indazole-1-carboxylate129488-10-4 2-Oxo-4-phenylpyrrolidine-1-acetic acid hydrazide77472-71-0 5-Ethyl-2,4-dihydro-4-(2-phenoxyethyl)-3H-1,2,4-triazol-3-one95885-13-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook