N-(3,5-dimethoxyphenyl)-2-methoxybenzamide

• ChemBase ID: 300752
• Molecular Formular: C16H17NO4
• Molecular Mass: 287.31048
• Monoisotopic Mass: 287.11575803
• SMILES: COc1ccccc1C(=O)Nc1cc(cc(c1)OC)OC
• Canonical SMILES: COc1cc(OC)cc(c1)NC(=O)c1ccccc1OC
• InChI: InChI=1S/C16H17NO4/c1-19-12-8-11(9-13(10-12)20-2)17-16(18)14-6-4-5-7-15(14)21-3/h4-10H,1-3H3,(H,17,18)
• InChIKey: FXZOGXUHZWHSBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,5-dimethoxyphenyl)-2-methoxybenzamide
• IUPAC Traditional name: N-(3,5-dimethoxyphenyl)-2-methoxybenzamide
• Synonyms: 2-Methoxy-N-(3,5-dimethoxyphenyl)benzamide

Database IDs

• CAS Number: 419554-15-7
• MDL Number: MFCD00751211

CALCULATED PROPERTIES

• Acid pKa: 12.860573
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.5921168
• LogD (pH = 7.4): 2.5921154
• Log P: 2.5921168
• Molar Refractivity: 80.9811 cm^3
• Polarizability: 30.495314 Å^3
• Polar Surface Area: 56.79 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%