2-{[4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl]oxy}acetamide

• ChemBase ID: 190809
• Molecular Formular: C19H17NO5
• Molecular Mass: 339.34198
• Monoisotopic Mass: 339.11067265
• SMILES: c12c(c(cc(=O)o1)c1ccc(cc1)OC)ccc(c2C)OCC(=O)N
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc(c2C)OCC(=O)N
• InChI: InChI=1S/C19H17NO5/c1-11-16(24-10-17(20)21)8-7-14-15(9-18(22)25-19(11)14)12-3-5-13(23-2)6-4-12/h3-9H,10H2,1-2H3,(H2,20,21)
• InChIKey: WGTMDHBUFPNDDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl]oxy}acetamide
• IUPAC Traditional name: 2-{[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxy}acetamide

Database IDs

• PubChem SID: 164246719
• PubChem CID: 713581

CALCULATED PROPERTIES

• Acid pKa: 14.973054
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.0856779
• LogD (pH = 7.4): 2.0856779
• Log P: 2.0856779
• Molar Refractivity: 100.9757 cm^3
• Polarizability: 35.14926 Å^3
• Polar Surface Area: 87.85 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds