N-{3-[2-(2,2-diphenylethyl)morpholin-4-yl]-3-oxopropyl}acetamide

• ChemBase ID: 529383
• Molecular Formular: C23H28N2O3
• Molecular Mass: 380.48002
• Monoisotopic Mass: 380.20999277
• SMILES: N1(C(=O)CCNC(=O)C)CC(CC(c2ccccc2)c2ccccc2)OCC1
• Canonical SMILES: O=C(N1CCOC(C1)CC(c1ccccc1)c1ccccc1)CCNC(=O)C
• InChI: InChI=1S/C23H28N2O3/c1-18(26)24-13-12-23(27)25-14-15-28-21(17-25)16-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,21-22H,12-17H2,1H3,(H,24,26)
• InChIKey: BJJGLIXTYLNBRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[2-(2,2-diphenylethyl)morpholin-4-yl]-3-oxopropyl}acetamide
• IUPAC Traditional name: N-{3-[2-(2,2-diphenylethyl)morpholin-4-yl]-3-oxopropyl}acetamide
• Synonyms: N-{3-[2-(2,2-diphenylethyl)-4-morpholinyl]-3-oxopropyl}acetamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Rotatable Bonds: 7
• H Acceptors: 3
• H Donor: 1
• Log P: 2.96
• LOG S: -3.66
• Polar Surface Area: 58.64 Å^2

JChem

• Lipinski's Rule of Five: true
• Acid pKa: 15.600353
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.268586
• LogD (pH = 7.4): 2.268586
• Log P: 2.268586
• Molar Refractivity: 109.1191 cm^3
• Polarizability: 42.480762 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7