N-[3-[Bis(2-hydroxyethyl)amino]phenyl]acetamide

C₁₂H₁₈N₂O₃CAS 92-02-4238.29 g/mol

Open in Covalent MOL file

Alcohol Tertiary amine

Properties

Molecular formula: C₁₂H₁₈N₂O₃
Molar mass: 238.29 g/mol
Exact mass: 238.1317 Da
Melting point: 116 °C
logP: 1.09Crippen estimate
Polar surface area: 76.3 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 6

Identifiers

CAS number

92-02-4

SMILES

CC(O)=Nc1cccc(N(CCO)CCO)c1

InChIKey

BPAFLIGSSPTQHU-UHFFFAOYSA-N

InChI

InChI=1S/C12H18N2O3/c1-10(17)13-11-3-2-4-12(9-11)14(5-7-15)6-8-16/h2-4,9,15-16H,5-8H2,1H3,(H,13,17)

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Names and synonyms

9 names

Acetamide, N-[3-[bis(2-hydroxyethyl)amino]phenyl]-
Acetanilide, 3′-[bis(2-hydroxyethyl)amino]-
3′-[Bis(2-hydroxyethyl)amino]acetanilide
3-Acetylamino-N,N-di(β-hydroxyethyl)aniline
m-[Bis(2-hydroxyethyl)amino]acetanilide
N,N-Bis(β-hydroxyethyl)-m-(acetylamino)aniline
3-Acetamido-N,N-bis(2-hydroxyethyl)aniline
3-(Acetylamino)-N,N-bis(2-hydroxyethyl)aniline
m-Acetamido-N,N-bis(2-hydroxyethyl)aniline

Work with N-[3-[Bis(2-hydroxyethyl)amino]phenyl]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-(Diethylamino)phenyl]acetamide6375-46-869 % similar N-[3-[Bis[2-(acetyloxy)ethyl]amino]phenyl]acetamide27059-08-163 % similar N-[3-(Acetylamino)phenyl]-N-(3-methoxy-3-oxopropyl)-β-alanine methyl ester61038-96-862 % similar N-[3-[Bis(2-hydroxyethyl)amino]-4-methoxyphenyl]acetamide24530-67-455 % similar N-(3-Chlorophenyl)acetamide588-07-854 % similar M-Tolyldiethanolamine91-99-653 % similar 2,2′-[(3-Chlorophenyl)imino]bis[ethanol]92-00-251 % similar N-(3-Fluorophenyl)acetamide351-28-050 % similar

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

Elsewhere

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