N-(2-hydroxy-2-phenylethyl)-2-(5-methoxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)acetamide

• ChemBase ID: 214162
• Molecular Formular: C22H23NO5
• Molecular Mass: 381.42172
• Monoisotopic Mass: 381.15762284
• SMILES: c1(c(c(=O)oc2c1c(cc(c2)C)OC)CC(=O)NCC(c1ccccc1)O)C
• Canonical SMILES: COc1cc(C)cc2c1c(C)c(c(=O)o2)CC(=O)NCC(c1ccccc1)O
• InChI: InChI=1S/C22H23NO5/c1-13-9-18(27-3)21-14(2)16(22(26)28-19(21)10-13)11-20(25)23-12-17(24)15-7-5-4-6-8-15/h4-10,17,24H,11-12H2,1-3H3,(H,23,25)
• InChIKey: JKHZCPTWFSKGPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-hydroxy-2-phenylethyl)-2-(5-methoxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)acetamide
• IUPAC Traditional name: N-(2-hydroxy-2-phenylethyl)-2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)acetamide

Database IDs

• PubChem SID: 164270072
• PubChem CID: 4869562

CALCULATED PROPERTIES

• Molar Refractivity: 105.2525 cm^3
• Polarizability: 40.6127 Å^3
• Polar Surface Area: 84.86 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 13.994022
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.4692533
• LogD (pH = 7.4): 2.4692533
• Log P: 2.4692533

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds