3-Ethoxybenzamide

C9H11NO2CAS 55836-69-6165.19 g/mol

Open in Covalent MOL file
OH2NO
Ether

Properties

Molecular formula
C9H11NO2
Molar mass
165.19 g/mol
Exact mass
165.0790 Da
logP
1.97Crippen estimate
Polar surface area
53.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
55836-69-6
SMILES
CCOc1cccc(C(=N)O)c1
InChIKey
NDOYNKFWOCOOIR-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO2/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3,(H2,10,11)

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Names and synonyms

2 names
  • Benzamide, 3-ethoxy-
  • Benzamide, m-ethoxy-

Work with 3-Ethoxybenzamide

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

3-Methoxybenzamide5813-86-564 % similar 3-Ethoxybenzoic acid621-51-263 % similar 1,3-Benzenedicarboxamide1740-57-456 % similar 1,3-Diethoxybenzene2049-73-256 % similar 3-Ethoxybenzoyl chloride61956-65-855 % similar 3-Methylbenzamide618-47-351 % similar 3-Ethoxyphenol621-34-151 % similar 3-Ethoxybenzhydrazide27830-16-651 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl N-phenylcarbamate101-99-5 Metolcarb1129-41-5 2-Amino-2-(4-methylphenyl)acetic acid13227-01-5 (+)-3-Amino-3-phenylpropanoic acid13921-90-9 2-Amino-3,5-dimethylbenzoic acid14438-32-5 1,3-Benzodioxole-5-ethanamine1484-85-1 DL-Phenylalanine150-30-1 4-Acetaminobenzyl alcohol16375-88-5

Elsewhere

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