N-[2-(4-methoxyphenyl)ethyl]-2-{2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamide

• ChemBase ID: 211547
• Molecular Formular: C26H27NO5
• Molecular Mass: 433.49628
• Monoisotopic Mass: 433.18892297
• SMILES: c12c(c(c(c(=O)o1)CC(=O)NCCc1ccc(cc1)OC)C)cc1c(oc(c1C)C)c2C
• Canonical SMILES: COc1ccc(cc1)CCNC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C
• InChI: InChI=1S/C26H27NO5/c1-14-17(4)31-24-16(3)25-21(12-20(14)24)15(2)22(26(29)32-25)13-23(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: KOTIDKOUNQJTNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-methoxyphenyl)ethyl]-2-{2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamide
• IUPAC Traditional name: N-[2-(4-methoxyphenyl)ethyl]-2-{2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl}acetamide

Database IDs

• PubChem SID: 164267457
• PubChem CID: 2982565

CALCULATED PROPERTIES

• Acid pKa: 14.724487
• 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: 47.891285 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