N-cyclopropyl-2-[2-(2,2-diphenylethyl)morpholin-4-yl]acetamide

• ChemBase ID: 709387
• Molecular Formular: C23H28N2O2
• Molecular Mass: 364.48062
• Monoisotopic Mass: 364.21507815
• SMILES: N1(CC(=O)NC2CC2)CC(CC(c2ccccc2)c2ccccc2)OCC1
• Canonical SMILES: O=C(CN1CCOC(C1)CC(c1ccccc1)c1ccccc1)NC1CC1
• InChI: InChI=1S/C23H28N2O2/c26-23(24-20-11-12-20)17-25-13-14-27-21(16-25)15-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,20-22H,11-17H2,(H,24,26)
• InChIKey: RYHBXWLNXHRBLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2-[2-(2,2-diphenylethyl)morpholin-4-yl]acetamide
• IUPAC Traditional name: N-cyclopropyl-2-[2-(2,2-diphenylethyl)morpholin-4-yl]acetamide
• Synonyms: N-cyclopropyl-2-[2-(2,2-diphenylethyl)-4-morpholinyl]acetamide

CALCULATED PROPERTIES

JChem

• Molar Refractivity: 107.3597 cm^3
• Polarizability: 42.084652 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 15.41275
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6227005
• LogD (pH = 7.4): 3.2518034
• Log P: 3.2702434

供应商提供(Chembridge)

• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7
• H Acceptors: 3
• H Donor: 1
• Log P: 3.63
• LOG S: -4.96