N-(2-phenylethyl)-2-{3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamide

• ChemBase ID: 223373
• Molecular Formular: C24H23NO4
• Molecular Mass: 389.44372
• Monoisotopic Mass: 389.16270822
• SMILES: c12c(c(c(c(=O)o1)CC(=O)NCCc1ccccc1)C)cc1c(c2C)occ1C
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C)NCCc1ccccc1
• InChI: InChI=1S/C24H23NO4/c1-14-13-28-22-16(3)23-19(11-18(14)22)15(2)20(24(27)29-23)12-21(26)25-10-9-17-7-5-4-6-8-17/h4-8,11,13H,9-10,12H2,1-3H3,(H,25,26)
• InChIKey: WYRURUQPTAVTEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-phenylethyl)-2-{3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamide
• IUPAC Traditional name: N-(2-phenylethyl)-2-{3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl}acetamide

Database IDs

• PubChem SID: 164279283
• PubChem CID: 4914302

CALCULATED PROPERTIES

• Acid pKa: 14.777201
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.2184653
• LogD (pH = 7.4): 4.2184653
• Log P: 4.2184653
• Molar Refractivity: 111.4641 cm^3
• Polarizability: 43.616653 Å^3
• Polar Surface Area: 68.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds