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

• ChemBase ID: 213889
• Molecular Formular: C24H23NO4
• Molecular Mass: 389.44372
• Monoisotopic Mass: 389.16270822
• SMILES: c1(c2c3occ(c3c(cc2oc(=O)c1CC(=O)NCCc1ccccc1)C)C)C
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)c1occ(c1c(c2)C)C)NCCc1ccccc1
• InChI: InChI=1S/C24H23NO4/c1-14-11-19-22(23-21(14)15(2)13-28-23)16(3)18(24(27)29-19)12-20(26)25-10-9-17-7-5-4-6-8-17/h4-8,11,13H,9-10,12H2,1-3H3,(H,25,26)
• InChIKey: NHUMTKYBPFIZIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164269799
• PubChem CID: 4869090

CALCULATED PROPERTIES

• Acid pKa: 14.701392
• 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: 43.61724 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