chempirical

N-(2-Ethoxy-4-nitrophenyl)acetamide

C10H12N2O4CAS 116496-76-5224.22 g/mol

Open in Covalent MOL file
ON+OO−NHO
EtherNitro

Properties

Molecular formula
C10H12N2O4
Molar mass
224.22 g/mol
Exact mass
224.0797 Da
Melting point
164–165 °C
logP
2.60Crippen estimate
Polar surface area
85.0 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
116496-76-5
SMILES
CCOc1cc([N+](=O)[O-])ccc1N=C(C)O
InChIKey
XZWVZJDHIDYKPB-UHFFFAOYSA-N
InChI
InChI=1S/C10H12N2O4/c1-3-16-10-6-8(12(14)15)4-5-9(10)11-7(2)13/h4-6H,3H2,1-2H3,(H,11,13)

Weigh it out

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

Names and synonyms

4 names
  • Acetamide, N-(2-ethoxy-4-nitrophenyl)-
  • 4-Acetamido-3-ethoxynitrobenzene
  • 4-Acetamido-3-ethoxy-1-nitrobenzene
  • Ace-011

Work with N-(2-Ethoxy-4-nitrophenyl)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

2-Ethoxy-4-nitrobenzoic acid2486-66-060 % similar 2-Bromo-5-nitroethoxybenzene423165-33-756 % similar Nitroacetanilide104-04-152 % similar 3-Nitroacetanilide122-28-151 % similar N-(4-Methoxy-2-nitrophenyl)acetamide119-81-349 % similar P-Nitrophenetole100-29-848 % similar 2,3-Dihydro-6-nitro-1,4-benzodioxin16498-20-748 % similar N-(2-Nitrophenyl)acetamide552-32-947 % similar

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

Same formula

3-Hydroxykynurenine2147-61-7 (βS)-β-Amino-4-nitrobenzenebutanoic acid270062-87-8 Stavudine3056-17-5 1,2,4,5-Tetramethyl-3,6-dinitrobenzene5465-13-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook