N-(2-hydroxy-2-phenylethyl)-2-(7-methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetamide

• ChemBase ID: 211339
• Molecular Formular: C22H23NO5
• Molecular Mass: 381.42172
• Monoisotopic Mass: 381.15762284
• SMILES: c12oc(=O)c(c(c1ccc(c2C)OC)C)CC(=O)NCC(c1ccccc1)O
• Canonical SMILES: COc1ccc2c(c1C)oc(=O)c(c2C)CC(=O)NCC(c1ccccc1)O
• InChI: InChI=1S/C22H23NO5/c1-13-16-9-10-19(27-3)14(2)21(16)28-22(26)17(13)11-20(25)23-12-18(24)15-7-5-4-6-8-15/h4-10,18,24H,11-12H2,1-3H3,(H,23,25)
• InChIKey: OPWREEZWFZKTLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-hydroxy-2-phenylethyl)-2-(7-methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetamide
• IUPAC Traditional name: N-(2-hydroxy-2-phenylethyl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide

Database IDs

• PubChem SID: 164267249
• PubChem CID: 4838125

CALCULATED PROPERTIES

• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 13.998031
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.4692533
• LogD (pH = 7.4): 2.4692533
• Log P: 2.4692533
• Molar Refractivity: 105.2525 cm^3
• Polarizability: 40.612625 Å^3
• Polar Surface Area: 84.86 Å^2

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds