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

• ChemBase ID: 22823
• Molecular Formular: C15H16N2O3
• Molecular Mass: 272.29914
• Monoisotopic Mass: 272.11609238
• SMILES: C(=O)(Nc1cc(N)ccc1OC)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C(=O)Nc1cc(N)ccc1OC
• InChI: InChI=1S/C15H16N2O3/c1-19-12-6-3-10(4-7-12)15(18)17-13-9-11(16)5-8-14(13)20-2/h3-9H,16H2,1-2H3,(H,17,18)
• InChIKey: WHNOTPQCWZMIGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09050199
• PubChem SID: 160986130
• PubChem CID: 16777734

CALCULATED PROPERTIES

• Acid pKa: 12.233283
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.8772131
• LogD (pH = 7.4): 1.9202772
• Log P: 1.9208621
• Molar Refractivity: 79.2183 cm^3
• Polarizability: 29.112658 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false