N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-methoxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)acetamide

• ChemBase ID: 214558
• Molecular Formular: C24H27NO6
• Molecular Mass: 425.47428
• Monoisotopic Mass: 425.18383759
• SMILES: c1(c(c(=O)oc2c1c(cc(c2)C)OC)CC(=O)NCCc1cc(c(cc1)OC)OC)C
• Canonical SMILES: COc1cc(CCNC(=O)Cc2c(=O)oc3c(c2C)c(OC)cc(c3)C)ccc1OC
• InChI: InChI=1S/C24H27NO6/c1-14-10-20(30-5)23-15(2)17(24(27)31-21(23)11-14)13-22(26)25-9-8-16-6-7-18(28-3)19(12-16)29-4/h6-7,10-12H,8-9,13H2,1-5H3,(H,25,26)
• InChIKey: MVSHBOLMTFLMAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-methoxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)acetamide
• IUPAC Traditional name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)acetamide

Database IDs

• PubChem SID: 164270468
• PubChem CID: 4967838

CALCULATED PROPERTIES

• Acid pKa: 14.658394
• 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: 45.040813 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