2-(morpholin-4-yl)-N-[(1-phenylcyclopentyl)methyl]benzamide

• ChemBase ID: 515084
• Molecular Formular: C23H28N2O2
• Molecular Mass: 364.48062
• Monoisotopic Mass: 364.21507815
• SMILES: c1(c(N2CCOCC2)cccc1)C(=O)NCC1(c2ccccc2)CCCC1
• Canonical SMILES: O=C(c1ccccc1N1CCOCC1)NCC1(CCCC1)c1ccccc1
• InChI: InChI=1S/C23H28N2O2/c26-22(20-10-4-5-11-21(20)25-14-16-27-17-15-25)24-18-23(12-6-7-13-23)19-8-2-1-3-9-19/h1-5,8-11H,6-7,12-18H2,(H,24,26)
• InChIKey: GLSWIVOJUHENAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)-N-[(1-phenylcyclopentyl)methyl]benzamide
• IUPAC Traditional name: 2-(morpholin-4-yl)-N-[(1-phenylcyclopentyl)methyl]benzamide
• Synonyms: 2-morpholin-4-yl-N-[(1-phenylcyclopentyl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.297154
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.1186247
• LogD (pH = 7.4): 4.118625
• Log P: 4.118625
• Molar Refractivity: 109.1733 cm^3
• Polarizability: 41.548515 Å^3
• Polar Surface Area: 41.57 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: 3.39
• LOG S: -4.75
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5