chempirical

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

C16H22N2O5CAS 27059-08-1322.36 g/mol

Open in Covalent MOL file
OONOONHO
EsterTertiary amine

Properties

Molecular formula
C16H22N2O5
Molar mass
322.36 g/mol
Exact mass
322.1529 Da
logP
2.23Crippen estimate
Polar surface area
88.4 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
8

Identifiers

CAS number
27059-08-1
SMILES
CC(=O)OCCN(CCOC(C)=O)c1cccc(N=C(C)O)c1
InChIKey
QHMJTMSGRAGQMU-UHFFFAOYSA-N
InChI
InChI=1S/C16H22N2O5/c1-12(19)17-15-5-4-6-16(11-15)18(7-9-22-13(2)20)8-10-23-14(3)21/h4-6,11H,7-10H2,1-3H3,(H,17,19)

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Names and synonyms

8 names
  • Acetamide, N-[3-[bis[2-(acetyloxy)ethyl]amino]phenyl]-
  • Acetanilide, 3′-[bis(2-hydroxyethyl)amino]-, diacetate (ester)
  • m-Acetamido-N,N-bis(β-acetoxyethyl)aniline
  • 3-Acetamido-N,N-bis(2-acetoxyethyl)aniline
  • 3-[N,N-Bis(2-acetoxyethyl)amino]acetanilide
  • N,N-Bis(2-acetoxyethyl)-m-aminoacetanilide
  • m-[Bis(2-acetoxyethyl)amino]acetanilide
  • 2,2′-[(3-Acetamidophenyl)imino]diethyl diacetate

Work with N-[3-[Bis[2-(acetyloxy)ethyl]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-[Bis(2-hydroxyethyl)amino]phenyl]acetamide92-02-463 % similar N-[3-[Bis[2-(acetyloxy)ethyl]amino]-4-methoxyphenyl]acetamide23128-51-062 % similar N,N-Bis(2-hydroxyethyl)-3-methylaniline diacetate21615-36-162 % similar Diacetyl-N-phenyldiethanolamine19249-34-459 % similar N-[3-(Diethylamino)phenyl]acetamide6375-46-859 % similar 3-[[2-(Acetyloxy)ethyl]phenylamino]propanenitrile22031-33-051 % similar N-(3-Chlorophenyl)acetamide588-07-849 % similar P-Acetoxyacetanilide2623-33-846 % similar

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

Same formula

1,5-Diethyl N-(4-aminobenzoyl)-L-glutamate13726-52-8 Serotonin adipate16031-83-7 N-[3-(Acetylamino)phenyl]-N-(3-methoxy-3-oxopropyl)-β-alanine methyl ester61038-96-8 Ehida63245-28-3

Elsewhere

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