N-[4-(2-hydroxyethyl)phenyl]-2-{4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2-oxo-2H-chromen-3-yl}acetamide

• ChemBase ID: 219060
• Molecular Formular: C24H25NO5
• Molecular Mass: 407.459
• Monoisotopic Mass: 407.17327291
• SMILES: c1(c(=O)oc2c(c1C)ccc(c2)OCC(=C)C)CC(=O)Nc1ccc(cc1)CCO
• Canonical SMILES: OCCc1ccc(cc1)NC(=O)Cc1c(=O)oc2c(c1C)ccc(c2)OCC(=C)C
• InChI: InChI=1S/C24H25NO5/c1-15(2)14-29-19-8-9-20-16(3)21(24(28)30-22(20)12-19)13-23(27)25-18-6-4-17(5-7-18)10-11-26/h4-9,12,26H,1,10-11,13-14H2,2-3H3,(H,25,27)
• InChIKey: ZVRRMHKLFWCOCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(2-hydroxyethyl)phenyl]-2-{4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2-oxo-2H-chromen-3-yl}acetamide
• IUPAC Traditional name: N-[4-(2-hydroxyethyl)phenyl]-2-{4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2-oxochromen-3-yl}acetamide

Database IDs

• PubChem SID: 164274970
• PubChem CID: 16408984

CALCULATED PROPERTIES

• Polarizability: 44.037033 Å^3
• Polar Surface Area: 84.86 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true
• Acid pKa: 10.95894
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.3751833
• LogD (pH = 7.4): 3.3750648
• Log P: 3.3751848
• Molar Refractivity: 116.2102 cm^3

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds