2-(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide

• ChemBase ID: 211593
• Molecular Formular: C22H23NO5
• Molecular Mass: 381.42172
• Monoisotopic Mass: 381.15762284
• SMILES: c1(c(=O)oc2c(c1C)ccc(c2)OC)CC(=O)NCCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CCNC(=O)Cc1c(=O)oc2c(c1C)ccc(c2)OC
• InChI: InChI=1S/C22H23NO5/c1-14-18-9-8-17(27-3)12-20(18)28-22(25)19(14)13-21(24)23-11-10-15-4-6-16(26-2)7-5-15/h4-9,12H,10-11,13H2,1-3H3,(H,23,24)
• InChIKey: RKFDGRUDQLIVMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
• IUPAC Traditional name: 2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide

Database IDs

• PubChem SID: 164267503
• PubChem CID: 4838679

CALCULATED PROPERTIES

• Acid pKa: 14.680115
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.717157
• LogD (pH = 7.4): 2.717157
• Log P: 2.717157
• Molar Refractivity: 105.467 cm^3
• Polarizability: 40.746067 Å^3
• Polar Surface Area: 73.86 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds