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

• ChemBase ID: 219310
• Molecular Formular: C25H25NO6
• Molecular Mass: 435.4691
• Monoisotopic Mass: 435.16818753
• SMILES: c12c(c(c(=O)oc2cc(c2c1oc(c2C)C)C)CC(=O)Nc1cc(c(cc1)OC)OC)C
• Canonical SMILES: COc1ccc(cc1OC)NC(=O)Cc1c(=O)oc2c(c1C)c1oc(c(c1c(c2)C)C)C
• InChI: InChI=1S/C25H25NO6/c1-12-9-20-23(24-22(12)13(2)15(4)31-24)14(3)17(25(28)32-20)11-21(27)26-16-7-8-18(29-5)19(10-16)30-6/h7-10H,11H2,1-6H3,(H,26,27)
• InChIKey: NTWQETSTKJYJLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164275220
• PubChem CID: 4968147

CALCULATED PROPERTIES

• Acid pKa: 10.855853
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 4.1071167
• LogD (pH = 7.4): 4.1069665
• Log P: 4.1071186
• Molar Refractivity: 121.731 cm^3
• Polarizability: 46.71953 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