N-[(2R,4R,6S)-2-(2-methylpropyl)-6-(2-phenylethyl)oxan-4-yl]acetamide

• ChemBase ID: 789188
• Molecular Formular: C19H29NO2
• Molecular Mass: 303.43906
• Monoisotopic Mass: 303.21982917
• SMILES: O1[C@@H](C[C@H](NC(=O)C)C[C@@H]1CCc1ccccc1)CC(C)C
• Canonical SMILES: CC(C[C@@H]1C[C@H](NC(=O)C)C[C@@H](O1)CCc1ccccc1)C
• InChI: InChI=1S/C19H29NO2/c1-14(2)11-19-13-17(20-15(3)21)12-18(22-19)10-9-16-7-5-4-6-8-16/h4-8,14,17-19H,9-13H2,1-3H3,(H,20,21)/t17-,18+,19-/m1/s1
• InChIKey: FXAHTIGDXJZFAJ-CEXWTWQISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2R,4R,6S)-2-(2-methylpropyl)-6-(2-phenylethyl)oxan-4-yl]acetamide
• IUPAC Traditional name: N-[(2R,4R,6S)-2-(2-methylpropyl)-6-(2-phenylethyl)oxan-4-yl]acetamide
• Synonyms: N-[(2R*,4R*,6S*)-2-isobutyl-6-(2-phenylethyl)tetrahydro-2H-pyran-4-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.16469
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.342729
• LogD (pH = 7.4): 3.342729
• Log P: 3.342729
• Molar Refractivity: 89.5693 cm^3
• Polarizability: 35.370335 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.0
• LOG S: -3.97
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 6