chempirical

2-(2-Methyl-3-nitrophenyl)-N,N-dipropylacetamide

C15H22N2O3CAS 91374-22-0278.35 g/mol

Open in Covalent MOL file
NON+OO−
AmideNitro

Properties

Molecular formula
C15H22N2O3
Molar mass
278.35 g/mol
Exact mass
278.1630 Da
logP
3.09Crippen estimate
Polar surface area
63.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
7

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
91374-22-0
SMILES
CCCN(CCC)C(=O)CC1=C(C(=CC=C1)[N+](=O)[O-])C
InChIKey
MNRNUPMXKFVATQ-UHFFFAOYSA-N
InChI
InChI=1S/C15H22N2O3/c1-4-9-16(10-5-2)15(18)11-13-7-6-8-14(12(13)3)17(19)20/h6-8H,4-5,9-11H2,1-3H3

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Names and synonyms

1 names
  • 2-Methyl-3-nitro-N,N-dipropylphenylacetamide

Work with 2-(2-Methyl-3-nitrophenyl)-N,N-dipropylacetamide

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-Methyl-3-nitro-N,N-dipropylbenzeneethanamine91374-23-163 % similar 2-Methyl-3-nitrobenzeneacetic acid23876-15-559 % similar 2-Methyl-3-nitrobenzenemethanol23876-13-354 % similar 1-(Chloromethyl)-2-methyl-3-nitrobenzene60468-54-452 % similar 2,6-Dinitrotoluene606-20-249 % similar 2-(2-(2-(Dipropylamino)ethyl)-6-nitrophenyl)acetic acid hydrochloride91374-25-348 % similar 3-Nitro-o-xylene83-41-046 % similar 2-Methyl-3-nitrobenzoic acid1975-50-444 % similar

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

Same formula

4-[(3-Butoxy-4-methoxyphenyl)methyl]-2-imidazolidinone29925-17-5 Leucylphenylalanine56217-82-4

Elsewhere

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