N-(2-ethylphenyl)-2-[4-(morpholin-4-yl)pentanamido]benzamide

• ChemBase ID: 739325
• Molecular Formular: C24H31N3O3
• Molecular Mass: 409.52124
• Monoisotopic Mass: 409.23654187
• SMILES: C(=O)(c1c(NC(=O)CCC(N2CCOCC2)C)cccc1)Nc1c(CC)cccc1
• Canonical SMILES: CCc1ccccc1NC(=O)c1ccccc1NC(=O)CCC(N1CCOCC1)C
• InChI: InChI=1S/C24H31N3O3/c1-3-19-8-4-6-10-21(19)26-24(29)20-9-5-7-11-22(20)25-23(28)13-12-18(2)27-14-16-30-17-15-27/h4-11,18H,3,12-17H2,1-2H3,(H,25,28)(H,26,29)
• InChIKey: VRENBMDELWWYPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-ethylphenyl)-2-[4-(morpholin-4-yl)pentanamido]benzamide
• IUPAC Traditional name: N-(2-ethylphenyl)-2-[4-(morpholin-4-yl)pentanamido]benzamide
• Synonyms: N-(2-ethylphenyl)-2-[(4-morpholin-4-ylpentanoyl)amino]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.569191
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.8565089
• LogD (pH = 7.4): 3.5054069
• Log P: 3.8760781
• Molar Refractivity: 122.4734 cm^3
• Polarizability: 45.803406 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.29
• LOG S: -4.99
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 8