methyl 2-(2-methoxybenzamido)benzoate

• ChemBase ID: 191429
• Molecular Formular: C16H15NO4
• Molecular Mass: 285.2946
• Monoisotopic Mass: 285.10010797
• SMILES: C(=O)(c1c(OC)cccc1)Nc1c(C(=O)OC)cccc1
• Canonical SMILES: COC(=O)c1ccccc1NC(=O)c1ccccc1OC
• InChI: InChI=1S/C16H15NO4/c1-20-14-10-6-4-8-12(14)15(18)17-13-9-5-3-7-11(13)16(19)21-2/h3-10H,1-2H3,(H,17,18)
• InChIKey: XLYUKWSGXILQAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(2-methoxybenzamido)benzoate
• IUPAC Traditional name: methyl 2-(2-methoxybenzamido)benzoate

Database IDs

• PubChem SID: 164247339
• PubChem CID: 650638

CALCULATED PROPERTIES

• Acid pKa: 10.246315
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.5609288
• LogD (pH = 7.4): 3.560349
• Log P: 3.5609362
• Molar Refractivity: 80.08 cm^3
• Polarizability: 29.883768 Å^3
• Polar Surface Area: 64.63 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds