N-[(2R,4r,6S)-2,6-dibenzyloxan-4-yl]acetamide

• ChemBase ID: 502675
• Molecular Formular: C21H25NO2
• Molecular Mass: 323.4287
• Monoisotopic Mass: 323.18852905
• SMILES: O1[C@@H](C[C@H](NC(=O)C)C[C@@H]1Cc1ccccc1)Cc1ccccc1
• Canonical SMILES: CC(=O)N[C@@H]1C[C@@H](O[C@@H](C1)Cc1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C21H25NO2/c1-16(23)22-19-14-20(12-17-8-4-2-5-9-17)24-21(15-19)13-18-10-6-3-7-11-18/h2-11,19-21H,12-15H2,1H3,(H,22,23)/t19-,20+,21-
• InChIKey: VQQFLJBIOKNUDF-WKCHPHFGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2R,4r,6S)-2,6-dibenzyloxan-4-yl]acetamide
• IUPAC Traditional name: N-[(2R,4r,6S)-2,6-dibenzyloxan-4-yl]acetamide
• Synonyms: N-[(2R*,6S*)-2,6-dibenzyltetrahydro-2H-pyran-4-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.008558
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.3003767
• LogD (pH = 7.4): 3.3003767
• Log P: 3.3003767
• Molar Refractivity: 95.9137 cm^3
• Polarizability: 37.528008 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.58
• LOG S: -3.76
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5