methyl 2-(5-methoxy-2-methyl-1-benzofuran-3-amido)benzoate

• ChemBase ID: 223306
• Molecular Formular: C19H17NO5
• Molecular Mass: 339.34198
• Monoisotopic Mass: 339.11067265
• SMILES: c1(C(=O)Nc2c(C(=O)OC)cccc2)c(oc2c1cc(cc2)OC)C
• Canonical SMILES: COc1ccc2c(c1)c(C(=O)Nc1ccccc1C(=O)OC)c(o2)C
• InChI: InChI=1S/C19H17NO5/c1-11-17(14-10-12(23-2)8-9-16(14)25-11)18(21)20-15-7-5-4-6-13(15)19(22)24-3/h4-10H,1-3H3,(H,20,21)
• InChIKey: DHUVHVKHFCKZFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(5-methoxy-2-methyl-1-benzofuran-3-amido)benzoate
• IUPAC Traditional name: methyl 2-(5-methoxy-2-methyl-1-benzofuran-3-amido)benzoate

Database IDs

• PubChem SID: 164279216
• PubChem CID: 26841538

CALCULATED PROPERTIES

• Acid pKa: 9.972263
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.9196072
• LogD (pH = 7.4): 3.9185176
• Log P: 3.919621
• Molar Refractivity: 94.0708 cm^3
• Polarizability: 36.02402 Å^3
• Polar Surface Area: 77.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds