N-(furan-2-ylmethyl)-2-(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamide

• ChemBase ID: 213523
• Molecular Formular: C18H17NO5
• Molecular Mass: 327.33128
• Monoisotopic Mass: 327.11067265
• SMILES: c1(c(=O)oc2c(c1C)ccc(c2)OC)CC(=O)NCc1occc1
• Canonical SMILES: COc1ccc2c(c1)oc(=O)c(c2C)CC(=O)NCc1ccco1
• InChI: InChI=1S/C18H17NO5/c1-11-14-6-5-12(22-2)8-16(14)24-18(21)15(11)9-17(20)19-10-13-4-3-7-23-13/h3-8H,9-10H2,1-2H3,(H,19,20)
• InChIKey: ZTUOLQKEEPYBPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-2-(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide

Database IDs

• PubChem SID: 164269433
• PubChem CID: 4967514

CALCULATED PROPERTIES

• Acid pKa: 12.98369
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6464136
• LogD (pH = 7.4): 1.6464126
• Log P: 1.6464136
• Molar Refractivity: 86.6397 cm^3
• Polarizability: 33.28019 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