N-(2-ethoxyphenyl)-2-methoxybenzamide

• ChemBase ID: 300975
• Molecular Formular: C16H17NO3
• Molecular Mass: 271.31108
• Monoisotopic Mass: 271.12084341
• SMILES: CCOc1ccccc1NC(=O)c1ccccc1OC
• Canonical SMILES: CCOc1ccccc1NC(=O)c1ccccc1OC
• InChI: InChI=1S/C16H17NO3/c1-3-20-15-11-7-5-9-13(15)17-16(18)12-8-4-6-10-14(12)19-2/h4-11H,3H2,1-2H3,(H,17,18)
• InChIKey: IFOHCGGZEGVBME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-ethoxyphenyl)-2-methoxybenzamide
• IUPAC Traditional name: N-(2-ethoxyphenyl)-2-methoxybenzamide
• Synonyms: N-(2-Ethoxyphenyl)-2-methoxybenzamide

Database IDs

• CAS Number: 306279-65-2
• MDL Number: MFCD01010708

CALCULATED PROPERTIES

• Acid pKa: 12.986994
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.106596
• LogD (pH = 7.4): 3.106595
• Log P: 3.106596
• Molar Refractivity: 79.2665 cm^3
• Polarizability: 29.81347 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97%