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

• ChemBase ID: 214719
• Molecular Formular: C26H27NO5
• Molecular Mass: 433.49628
• Monoisotopic Mass: 433.18892297
• SMILES: c12c(c(c(=O)oc2cc(c2c1oc(c2C)C)C)CC(=O)NCCc1ccc(cc1)OC)C
• Canonical SMILES: COc1ccc(cc1)CCNC(=O)Cc1c(=O)oc2c(c1C)c1oc(c(c1c(c2)C)C)C
• InChI: InChI=1S/C26H27NO5/c1-14-12-21-24(25-23(14)15(2)17(4)31-25)16(3)20(26(29)32-21)13-22(28)27-11-10-18-6-8-19(30-5)9-7-18/h6-9,12H,10-11,13H2,1-5H3,(H,27,28)
• InChIKey: CSBXPPPYFYHGHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164270629
• PubChem CID: 4968109

CALCULATED PROPERTIES

• Acid pKa: 14.685244
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.2603555
• LogD (pH = 7.4): 4.2603555
• Log P: 4.2603555
• Molar Refractivity: 123.077 cm^3
• Polarizability: 47.89185 Å^3
• Polar Surface Area: 77.77 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds