2-{3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

• ChemBase ID: 213277
• Molecular Formular: C24H30N2O4
• Molecular Mass: 410.506
• Monoisotopic Mass: 410.22055745
• SMILES: c1(c(c2c(oc1=O)cc1c(c2)c(co1)C)C)CC(=O)NC1CC(NC(C1)(C)C)(C)C
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1C)NC1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C24H30N2O4/c1-13-12-29-19-9-20-17(7-16(13)19)14(2)18(22(28)30-20)8-21(27)25-15-10-23(3,4)26-24(5,6)11-15/h7,9,12,15,26H,8,10-11H2,1-6H3,(H,25,27)
• InChIKey: FMOLNLJYJAPEDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• IUPAC Traditional name: 2-{3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl}-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

Database IDs

• PubChem SID: 164269187
• PubChem CID: 4966948

CALCULATED PROPERTIES

• Acid pKa: 14.748514
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.50234467
• LogD (pH = 7.4): -0.06593052
• Log P: 2.7299714
• Molar Refractivity: 115.3257 cm^3
• Polarizability: 45.94123 Å^3
• Polar Surface Area: 80.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds