N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamide

• ChemBase ID: 219366
• Molecular Formular: C22H23NO5
• Molecular Mass: 381.42172
• Monoisotopic Mass: 381.15762284
• SMILES: c1(c(=O)oc2c(c1C)ccc(c2)OC)CC(=O)N[C@H](Cc1ccccc1)CO
• Canonical SMILES: OC[C@@H](Cc1ccccc1)NC(=O)Cc1c(=O)oc2c(c1C)ccc(c2)OC
• InChI: InChI=1S/C22H23NO5/c1-14-18-9-8-17(27-2)11-20(18)28-22(26)19(14)12-21(25)23-16(13-24)10-15-6-4-3-5-7-15/h3-9,11,16,24H,10,12-13H2,1-2H3,(H,23,25)/t16-/m1/s1
• InChIKey: ZHUUFEQWLRGKJP-MRXNPFEDSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164275276
• PubChem CID: 16409271

CALCULATED PROPERTIES

• Acid pKa: 14.483652
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.2444932
• LogD (pH = 7.4): 2.2444932
• Log P: 2.2444932
• Molar Refractivity: 104.9663 cm^3
• Polarizability: 40.69101 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