2-(morpholin-4-yl)-N-[(2E)-3-phenylprop-2-en-1-yl]-N-propylbenzamide

• ChemBase ID: 760520
• Molecular Formular: C23H28N2O2
• Molecular Mass: 364.48062
• Monoisotopic Mass: 364.21507815
• SMILES: c1(C(=O)N(C/C=C/c2ccccc2)CCC)c(N2CCOCC2)cccc1
• Canonical SMILES: CCCN(C(=O)c1ccccc1N1CCOCC1)C/C=C/c1ccccc1
• InChI: InChI=1S/C23H28N2O2/c1-2-14-25(15-8-11-20-9-4-3-5-10-20)23(26)21-12-6-7-13-22(21)24-16-18-27-19-17-24/h3-13H,2,14-19H2,1H3/b11-8+
• InChIKey: SEJQHIPQUNMDIV-DHZHZOJOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)-N-[(2E)-3-phenylprop-2-en-1-yl]-N-propylbenzamide
• IUPAC Traditional name: 2-(morpholin-4-yl)-N-[(2E)-3-phenylprop-2-en-1-yl]-N-propylbenzamide
• Synonyms: 2-morpholin-4-yl-N-[(2E)-3-phenylprop-2-en-1-yl]-N-propylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.3745003
• LogD (pH = 7.4): 4.3745008
• Log P: 4.3745008
• Molar Refractivity: 112.6367 cm^3
• Polarizability: 42.1196 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.17
• LOG S: -5.42
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 7