2-{2,3,4,9-tetramethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl}-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

• ChemBase ID: 213820
• Molecular Formular: C26H34N2O4
• Molecular Mass: 438.55916
• Monoisotopic Mass: 438.25185758
• SMILES: c12c(c(c(=O)oc2cc(c2c1oc(c2C)C)C)CC(=O)NC1CC(NC(C1)(C)C)(C)C)C
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)c1oc(c(c1c(c2)C)C)C)NC1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C26H34N2O4/c1-13-9-19-22(23-21(13)14(2)16(4)31-23)15(3)18(24(30)32-19)10-20(29)27-17-11-25(5,6)28-26(7,8)12-17/h9,17,28H,10-12H2,1-8H3,(H,27,29)
• InChIKey: XPKJELSMXXFKBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2,3,4,9-tetramethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl}-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• IUPAC Traditional name: 2-{2,3,4,9-tetramethyl-7-oxofuro[2,3-f]chromen-8-yl}-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

Database IDs

• PubChem SID: 164269730
• PubChem CID: 4868974

CALCULATED PROPERTIES

• Acid pKa: 14.693819
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.21063803
• LogD (pH = 7.4): 0.6470521
• Log P: 3.442954
• Molar Refractivity: 125.5166 cm^3
• Polarizability: 49.472187 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