Basic information
- CAS
92-16-0- Standard SMILES
COc1ccccc1NC(=O)CC(=O)c1ccccc1- InChIKey
FTYSHTGKLFLKRX-UHFFFAOYSA-N- Molecular formula
- C16H15NO3
- Average molar mass
- 269.29 g/mol
- Monoisotopic mass
- 269.10519334
Names & identifiers
- Preferred name
- Benzenepropanamide, N-(2-methoxyphenyl)-beta-oxo-
- IUPAC
- N-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide
- English name
- 2-benzoyl-2'-methoxyacetanilide
- Molecular formula
- C16H15NO3
- Molecular weight
- 269.3
Names & synonyms
92-16-0Benzoylacet-o-anisidideBRN 2742898EINECS 202-132-6Benzenepropanamide, N-(2-methoxyphenyl)-beta-oxo-Benzenepropanamide, N-(2-methoxyphenyl)-.beta.-oxo-o-ACETANISIDIDE, BENZOYL-DTXSID9059042RefChem:563579DTXCID7048748N-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide2-Benzoyl-2'-methoxyacetanilide
Show more names
α-Benzoyl-2'-methoxyacetanilideN-(2-Methoxyphenyl)benzoylacetamideN-(2-Methoxyphenyl)-α-benzoylacetamideN-(2-Methoxyphenyl)-β-oxobenzenepropanamideBenzenepropanamide, N-(2-methoxyphenyl)-β-oxo-3-keto-N-(2-methoxyphenyl)-3-phenyl-propionamide
N-(2-Methoxyphenyl)-beta-oxobenzenepropanamide2-Benzoyl-o-acetanisididealpha-benzoyl-o-methoxyacetanilideOprea1_238148MLS0011983175K83PZU2L5SCHEMBL3315763CHEMBL1330315
Database identifiers
- CAS
92-16-0- PubChem CID
- 7079
- DTXSID
DTXSID9059042- ChEMBL
CHEMBL1330315- UNII
- 5K83PZU2L5
- EC Number
- 202-132-6
- Nikkaji
- J13.537B
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 337
Experimental & physicochemical properties
Solubility>40.4 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 81 · 81-83 °C
- Boiling point
- 412.44 °C · 412.44°C (rough estimate)
- Density
- 1.1347 · 1.1347 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- pka
- 10.42 · 10.42±0.23(Predicted)
- EPA Substance Registry System
- Benzenepropanamide, N-(2-methoxyphenyl)-.beta.-oxo- (92-16-0)
- TSCA
- TSCA listed
- Toxicity
- 1600 mg/kg · LDLo orl-rat: 1600 mg/kg KODAK* -,-,71
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Benzenepropanamide, N-(2-methoxyphenyl)-.beta.-oxo-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
- Toxicity
- LDLo orl-rat: 1600 mg/kg KODAK* -,-,71
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenepropanamide, N-(2-methoxyphenyl)-.beta.-oxo-: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers2 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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