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

• ChemBase ID: 214667
• Molecular Formular: C23H21NO5
• Molecular Mass: 391.41654
• Monoisotopic Mass: 391.14197278
• SMILES: c1(c2c3occ(c3c(cc2oc(=O)c1CC(=O)Nc1ccc(cc1)OC)C)C)C
• Canonical SMILES: COc1ccc(cc1)NC(=O)Cc1c(=O)oc2c(c1C)c1occ(c1c(c2)C)C
• InChI: InChI=1S/C23H21NO5/c1-12-9-18-21(22-20(12)13(2)11-28-22)14(3)17(23(26)29-18)10-19(25)24-15-5-7-16(27-4)8-6-15/h5-9,11H,10H2,1-4H3,(H,24,25)
• InChIKey: STDOZXRGBBNEHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164270577
• PubChem CID: 4968043

CALCULATED PROPERTIES

• Acid pKa: 10.86022
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.0652266
• LogD (pH = 7.4): 4.0650783
• Log P: 4.0652285
• Molar Refractivity: 110.1181 cm^3
• Polarizability: 42.433548 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