N-[(2S,4R,6S)-2-benzyl-6-[2-methyl-1-(morpholin-4-yl)propan-2-yl]oxan-4-yl]acetamide

• ChemBase ID: 591335
• Molecular Formular: C22H34N2O3
• Molecular Mass: 374.51696
• Monoisotopic Mass: 374.25694296
• SMILES: [C@H]1(C(CN2CCOCC2)(C)C)O[C@H](C[C@H](C1)NC(=O)C)Cc1ccccc1
• Canonical SMILES: CC(=O)N[C@@H]1C[C@H](Cc2ccccc2)O[C@@H](C1)C(CN1CCOCC1)(C)C
• InChI: InChI=1S/C22H34N2O3/c1-17(25)23-19-14-20(13-18-7-5-4-6-8-18)27-21(15-19)22(2,3)16-24-9-11-26-12-10-24/h4-8,19-21H,9-16H2,1-3H3,(H,23,25)/t19-,20+,21+/m1/s1
• InChIKey: XZDGZMXTLZWPCW-HKBOAZHASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2S,4R,6S)-2-benzyl-6-[2-methyl-1-(morpholin-4-yl)propan-2-yl]oxan-4-yl]acetamide
• IUPAC Traditional name: N-[(2S,4R,6S)-2-benzyl-6-[2-methyl-1-(morpholin-4-yl)propan-2-yl]oxan-4-yl]acetamide
• Synonyms: N-[(2S*,4R*,6S*)-2-benzyl-6-(1,1-dimethyl-2-morpholin-4-ylethyl)tetrahydro-2H-pyran-4-yl]acetamide

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 16.002031
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.08982111
• LogD (pH = 7.4): 1.7425547
• Log P: 2.1190212
• Molar Refractivity: 107.2644 cm^3
• Polarizability: 42.376835 Å^3
• Polar Surface Area: 50.8 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 6
• H Acceptors: 4
• H Donor: 1
• Log P: 1.83
• LOG S: -3.49
• Polar Surface Area: 50.8 Å^2