N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(7-methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetamide

• ChemBase ID: 211781
• Molecular Formular: C24H27NO6
• Molecular Mass: 425.47428
• Monoisotopic Mass: 425.18383759
• SMILES: c12oc(=O)c(c(c1ccc(c2C)OC)C)CC(=O)NCCc1cc(c(cc1)OC)OC
• Canonical SMILES: COc1ccc(cc1OC)CCNC(=O)Cc1c(=O)oc2c(c1C)ccc(c2C)OC
• InChI: InChI=1S/C24H27NO6/c1-14-17-7-9-19(28-3)15(2)23(17)31-24(27)18(14)13-22(26)25-11-10-16-6-8-20(29-4)21(12-16)30-5/h6-9,12H,10-11,13H2,1-5H3,(H,25,26)
• InChIKey: AVKSQWXQYBDQQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(7-methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetamide
• IUPAC Traditional name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide

Database IDs

• PubChem SID: 164267691
• PubChem CID: 4839112

CALCULATED PROPERTIES

• Acid pKa: 14.676229
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.072907
• LogD (pH = 7.4): 3.072907
• Log P: 3.072907
• Molar Refractivity: 116.9714 cm^3
• Polarizability: 45.040733 Å^3
• Polar Surface Area: 83.09 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds