N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-[(3,4,8-trimethyl-2-oxo-2H-chromen-7-yl)oxy]acetamide

• ChemBase ID: 218927
• Molecular Formular: C23H25NO5
• Molecular Mass: 395.4483
• Monoisotopic Mass: 395.17327291
• SMILES: c12oc(=O)c(c(c1ccc(c2C)OCC(=O)N[C@H](Cc1ccccc1)CO)C)C
• Canonical SMILES: OC[C@@H](Cc1ccccc1)NC(=O)COc1ccc2c(c1C)oc(=O)c(c2C)C
• InChI: InChI=1S/C23H25NO5/c1-14-15(2)23(27)29-22-16(3)20(10-9-19(14)22)28-13-21(26)24-18(12-25)11-17-7-5-4-6-8-17/h4-10,18,25H,11-13H2,1-3H3,(H,24,26)/t18-/m1/s1
• InChIKey: YESGDJLIKSKBOR-GOSISDBHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-[(3,4,8-trimethyl-2-oxo-2H-chromen-7-yl)oxy]acetamide
• IUPAC Traditional name: N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-[(3,4,8-trimethyl-2-oxochromen-7-yl)oxy]acetamide

Database IDs

• PubChem SID: 164274837
• PubChem CID: 16408867

CALCULATED PROPERTIES

• Acid pKa: 13.227679
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.111571
• LogD (pH = 7.4): 3.1115704
• Log P: 3.111571
• Molar Refractivity: 109.8257 cm^3
• Polarizability: 42.455593 Å^3
• Polar Surface Area: 84.86 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds