N-(3,5-dimethoxyphenyl)-2-{3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamide

• ChemBase ID: 214276
• Molecular Formular: C23H21NO6
• Molecular Mass: 407.41594
• Monoisotopic Mass: 407.1368874
• SMILES: c1(c(c2c(oc1=O)cc1c(c2)c(co1)C)C)CC(=O)Nc1cc(cc(c1)OC)OC
• Canonical SMILES: COc1cc(NC(=O)Cc2c(=O)oc3c(c2C)cc2c(c3)occ2C)cc(c1)OC
• InChI: InChI=1S/C23H21NO6/c1-12-11-29-20-10-21-18(8-17(12)20)13(2)19(23(26)30-21)9-22(25)24-14-5-15(27-3)7-16(6-14)28-4/h5-8,10-11H,9H2,1-4H3,(H,24,25)
• InChIKey: SLTKNMIWMZFENJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,5-dimethoxyphenyl)-2-{3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamide
• IUPAC Traditional name: N-(3,5-dimethoxyphenyl)-2-{3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl}acetamide

Database IDs

• PubChem SID: 164270186
• PubChem CID: 4869758

CALCULATED PROPERTIES

• Acid pKa: 10.933703
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.3941343
• LogD (pH = 7.4): 3.3940089
• Log P: 3.3941357
• Molar Refractivity: 111.5401 cm^3
• Polarizability: 43.19167 Å^3
• Polar Surface Area: 87.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds