Methyl 4-acetamido-2-methoxybenzoate

C₁₁H₁₃NO₄CAS 4093-29-2223.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₃NO₄
Molar mass: 223.23 g/mol
Exact mass: 223.0845 Da
Melting point: 127 °C
logP: 2.09Crippen estimate
Polar surface area: 68.1 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Identifiers

CAS number

4093-29-2

SMILES

COC(=O)c1ccc(N=C(C)O)cc1OC

InChIKey

OERVVBDWGVOBIS-UHFFFAOYSA-N

InChI

InChI=1S/C11H13NO4/c1-7(13)12-8-4-5-9(11(14)16-3)10(6-8)15-2/h4-6H,1-3H3,(H,12,13)

Weigh it out

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

Names and synonyms

4 names

Benzoic acid, 4-(acetylamino)-2-methoxy-, methyl ester
o-Anisic acid, 4-acetamido-, methyl ester
4-Acetamido-2-methoxybenzoic acid, methyl ester
Methyl 4-acetylamino-2-methoxybenzoate

Work with Methyl 4-acetamido-2-methoxybenzoate

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

Ethopabate59-06-373 % similar Methyl 4-acetamido-2-hydroxybenzoate4093-28-170 % similar Methyl 4-acetamido-5-chloro-2-methoxybenzoate4093-31-660 % similar Methyl 2,4-dimethoxybenzoate2150-41-657 % similar Methyl 4-bromo-2-methoxybenzoate139102-34-455 % similar Methyl 4-fluoro-2-methoxybenzoate204707-42-655 % similar Methyl 4-amino-2-methoxybenzoate27492-84-855 % similar N-(3-Amino-4-methoxyphenyl)acetamide6375-47-955 % similar

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

Same formula

Benzyloxycarbonyl-L-alanine1142-20-7 N-Benzyloxycarbonylglycine methyl ester1212-53-9 1,2-Dimethoxy-4-(2-nitro-1-propen-1-yl)benzene122-47-4 H-D-Asp(obzl)-oh13188-89-1 Diethyl 2,6-pyridinedicarboxylate15658-60-3 4-(Phenylmethyl) hydrogen L-aspartate2177-63-1 Bendiocarb22781-23-3 N-(Benzyloxycarbonyl)-β-alanine2304-94-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook