N-(5-amino-2-methoxyphenyl)-3-ethoxybenzamide

• ChemBase ID: 22892
• Molecular Formular: C16H18N2O3
• Molecular Mass: 286.32572
• Monoisotopic Mass: 286.13174245
• SMILES: C(=O)(Nc1cc(N)ccc1OC)c1cc(OCC)ccc1
• Canonical SMILES: CCOc1cccc(c1)C(=O)Nc1cc(N)ccc1OC
• InChI: InChI=1S/C16H18N2O3/c1-3-21-13-6-4-5-11(9-13)16(19)18-14-10-12(17)7-8-15(14)20-2/h4-10H,3,17H2,1-2H3,(H,18,19)
• InChIKey: UAOMOVNVRSMGOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-amino-2-methoxyphenyl)-3-ethoxybenzamide
• IUPAC Traditional name: N-(5-amino-2-methoxyphenyl)-3-ethoxybenzamide
• Synonyms: N-(5-Amino-2-methoxyphenyl)-3-ethoxybenzamide

Database IDs

• MDL Number: MFCD09997213
• PubChem SID: 160986199
• PubChem CID: 28306462

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• Acid pKa: 11.913221
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.2345476
• LogD (pH = 7.4): 2.277085
• Log P: 2.2776701
• Molar Refractivity: 83.9669 cm^3
• Polarizability: 30.952896 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 5

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false