N-(5-amino-2-methoxyphenyl)-2-(4-methoxyphenyl)acetamide

• ChemBase ID: 22832
• Molecular Formular: C16H18N2O3
• Molecular Mass: 286.32572
• Monoisotopic Mass: 286.13174245
• SMILES: c1(NC(=O)Cc2ccc(cc2)OC)cc(N)ccc1OC
• Canonical SMILES: COc1ccc(cc1)CC(=O)Nc1cc(N)ccc1OC
• InChI: InChI=1S/C16H18N2O3/c1-20-13-6-3-11(4-7-13)9-16(19)18-14-10-12(17)5-8-15(14)21-2/h3-8,10H,9,17H2,1-2H3,(H,18,19)
• InChIKey: ZIYSWSAGEHPVDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-amino-2-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
• IUPAC Traditional name: N-(5-amino-2-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
• Synonyms: N-(5-Amino-2-methoxyphenyl)-2-(4-methoxyphenyl)-acetamide

Database IDs

• MDL Number: MFCD09807288
• PubChem SID: 160986139
• PubChem CID: 20120283

CALCULATED PROPERTIES

• Acid pKa: 12.268609
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.8429803
• LogD (pH = 7.4): 1.9002402
• Log P: 1.9010276
• Molar Refractivity: 83.2697 cm^3
• Polarizability: 30.975508 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false