N-(4-methoxyphenyl)-2-{2,3,4,9-tetramethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl}acetamide

• ChemBase ID: 214091
• Molecular Formular: C24H23NO5
• Molecular Mass: 405.44312
• Monoisotopic Mass: 405.15762284
• SMILES: c12c(c(c(=O)oc2cc(c2c1oc(c2C)C)C)CC(=O)Nc1ccc(cc1)OC)C
• Canonical SMILES: COc1ccc(cc1)NC(=O)Cc1c(=O)oc2c(c1C)c1oc(c(c1c(c2)C)C)C
• InChI: InChI=1S/C24H23NO5/c1-12-10-19-22(23-21(12)13(2)15(4)29-23)14(3)18(24(27)30-19)11-20(26)25-16-6-8-17(28-5)9-7-16/h6-10H,11H2,1-5H3,(H,25,26)
• InChIKey: OFCWYHIBCADSFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-methoxyphenyl)-2-{2,3,4,9-tetramethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl}acetamide
• IUPAC Traditional name: N-(4-methoxyphenyl)-2-{2,3,4,9-tetramethyl-7-oxofuro[2,3-f]chromen-8-yl}acetamide

Database IDs

• PubChem SID: 164270001
• PubChem CID: 4869431

CALCULATED PROPERTIES

• Acid pKa: 10.860404
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.2647877
• LogD (pH = 7.4): 4.2646394
• Log P: 4.2647896
• Molar Refractivity: 115.2678 cm^3
• Polarizability: 44.196625 Å^3
• Polar Surface Area: 77.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds