methyl 2-(4-methoxybenzamido)benzoate

• ChemBase ID: 192549
• Molecular Formular: C16H15NO4
• Molecular Mass: 285.2946
• Monoisotopic Mass: 285.10010797
• SMILES: c1(c(NC(=O)c2ccc(cc2)OC)cccc1)C(=O)OC
• Canonical SMILES: COc1ccc(cc1)C(=O)Nc1ccccc1C(=O)OC
• InChI: InChI=1S/C16H15NO4/c1-20-12-9-7-11(8-10-12)15(18)17-14-6-4-3-5-13(14)16(19)21-2/h3-10H,1-2H3,(H,17,18)
• InChIKey: IHMUJQKXSXXRSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(4-methoxybenzamido)benzoate
• IUPAC Traditional name: methyl 2-(4-methoxybenzamido)benzoate

Database IDs

• PubChem SID: 164248459
• PubChem CID: 779930

CALCULATED PROPERTIES

• Acid pKa: 10.841208
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.5609345
• LogD (pH = 7.4): 3.560787
• Log P: 3.5609362
• Molar Refractivity: 80.08 cm^3
• Polarizability: 29.881145 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