3-{4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2-oxo-2H-chromen-3-yl}-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

• ChemBase ID: 219334
• Molecular Formular: C26H36N2O4
• Molecular Mass: 440.57504
• Monoisotopic Mass: 440.26750764
• SMILES: c1(c(=O)oc2c(c1C)ccc(c2)OCC(=C)C)CCC(=O)NC1CC(NC(C1)(C)C)(C)C
• Canonical SMILES: CC(=C)COc1ccc2c(c1)oc(=O)c(c2C)CCC(=O)NC1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C26H36N2O4/c1-16(2)15-31-19-8-9-20-17(3)21(24(30)32-22(20)12-19)10-11-23(29)27-18-13-25(4,5)28-26(6,7)14-18/h8-9,12,18,28H,1,10-11,13-15H2,2-7H3,(H,27,29)
• InChIKey: CNHSSHRHPMYOGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2-oxo-2H-chromen-3-yl}-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
• IUPAC Traditional name: 3-{4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2-oxochromen-3-yl}-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

Database IDs

• PubChem SID: 164275244
• PubChem CID: 16409241

CALCULATED PROPERTIES

• Acid pKa: 15.392004
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.08661676
• LogD (pH = 7.4): 0.523033
• Log P: 3.3189352
• Molar Refractivity: 125.9523 cm^3
• Polarizability: 49.443985 Å^3
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds