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

• ChemBase ID: 218382
• Molecular Formular: C20H19NO5
• Molecular Mass: 353.36856
• Monoisotopic Mass: 353.12632271
• SMILES: o1c2c(ccc1=O)ccc(c2)OCC(=O)N[C@H](Cc1ccccc1)CO
• Canonical SMILES: OC[C@@H](Cc1ccccc1)NC(=O)COc1ccc2c(c1)oc(=O)cc2
• InChI: InChI=1S/C20H19NO5/c22-12-16(10-14-4-2-1-3-5-14)21-19(23)13-25-17-8-6-15-7-9-20(24)26-18(15)11-17/h1-9,11,16,22H,10,12-13H2,(H,21,23)
• InChIKey: MTKOOESLMHTWOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164274292
• PubChem CID: 16408350

CALCULATED PROPERTIES

• Acid pKa: 13.160297
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.9032044
• LogD (pH = 7.4): 1.9032038
• Log P: 1.9032044
• Molar Refractivity: 96.1454 cm^3
• Polarizability: 37.015 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