2-methoxy-N-[2-(2-methoxyphenyl)-4-oxo-4H-chromen-6-yl]acetamide

• ChemBase ID: 220774
• Molecular Formular: C19H17NO5
• Molecular Mass: 339.34198
• Monoisotopic Mass: 339.11067265
• SMILES: c1(cc(=O)c2c(o1)ccc(c2)NC(=O)COC)c1c(OC)cccc1
• Canonical SMILES: COCC(=O)Nc1ccc2c(c1)c(=O)cc(o2)c1ccccc1OC
• InChI: InChI=1S/C19H17NO5/c1-23-11-19(22)20-12-7-8-17-14(9-12)15(21)10-18(25-17)13-5-3-4-6-16(13)24-2/h3-10H,11H2,1-2H3,(H,20,22)
• InChIKey: NGLONSVADVZUEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-[2-(2-methoxyphenyl)-4-oxo-4H-chromen-6-yl]acetamide
• IUPAC Traditional name: 2-methoxy-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]acetamide

Database IDs

• PubChem SID: 164276684
• PubChem CID: 42506824

CALCULATED PROPERTIES

• Acid pKa: 13.041125
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.8733027
• LogD (pH = 7.4): 1.8733017
• Log P: 1.8733027
• Molar Refractivity: 94.7508 cm^3
• Polarizability: 35.212814 Å^3
• Polar Surface Area: 73.86 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds