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

• ChemBase ID: 197963
• Molecular Formular: C25H32N2O4
• Molecular Mass: 424.53258
• Monoisotopic Mass: 424.23620751
• SMILES: c1(c(c2c(oc1=O)cc1c(c2)c(co1)C)C)CCC(=O)NC1CC(NC(C1)(C)C)(C)C
• Canonical SMILES: O=C(NC1CC(C)(C)NC(C1)(C)C)CCc1c(=O)oc2c(c1C)cc1c(c2)occ1C
• InChI: InChI=1S/C25H32N2O4/c1-14-13-30-20-10-21-19(9-18(14)20)15(2)17(23(29)31-21)7-8-22(28)26-16-11-24(3,4)27-25(5,6)12-16/h9-10,13,16,27H,7-8,11-12H2,1-6H3,(H,26,28)
• InChIKey: AMWJMQAAENXRMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164253873
• PubChem CID: 1752081

CALCULATED PROPERTIES

• Acid pKa: 15.307114
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.057778284
• LogD (pH = 7.4): 0.37863806
• Log P: 3.17454
• Molar Refractivity: 119.9267 cm^3
• Polarizability: 47.784073 Å^3
• Polar Surface Area: 80.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds