N-[(2,4-dimethoxyphenyl)methyl]-2-[(4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]acetamide

• ChemBase ID: 211066
• Molecular Formular: C22H23NO6
• Molecular Mass: 397.42112
• Monoisotopic Mass: 397.15253746
• SMILES: c1(c2c(oc(=O)c1)cc(cc2OCC(=O)NCc1c(cc(cc1)OC)OC)C)C
• Canonical SMILES: COc1ccc(c(c1)OC)CNC(=O)COc1cc(C)cc2c1c(C)cc(=O)o2
• InChI: InChI=1S/C22H23NO6/c1-13-7-18(22-14(2)9-21(25)29-19(22)8-13)28-12-20(24)23-11-15-5-6-16(26-3)10-17(15)27-4/h5-10H,11-12H2,1-4H3,(H,23,24)
• InChIKey: MSVPVMIBNTXNRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164266976
• PubChem CID: 4837480

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.7423518
• LogD (pH = 7.4): 2.7423515
• Log P: 2.7423518
• Molar Refractivity: 107.6775 cm^3
• Polarizability: 41.363308 Å^3
• Polar Surface Area: 83.09 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 13.596503

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds