4-pentanamido-N-[3-(pyridin-3-yloxy)propyl]benzamide

• ChemBase ID: 566935
• Molecular Formular: C20H25N3O3
• Molecular Mass: 355.4308
• Monoisotopic Mass: 355.18959168
• SMILES: C(=O)(c1ccc(NC(=O)CCCC)cc1)NCCCOc1cnccc1
• Canonical SMILES: CCCCC(=O)Nc1ccc(cc1)C(=O)NCCCOc1cccnc1
• InChI: InChI=1S/C20H25N3O3/c1-2-3-7-19(24)23-17-10-8-16(9-11-17)20(25)22-13-5-14-26-18-6-4-12-21-15-18/h4,6,8-12,15H,2-3,5,7,13-14H2,1H3,(H,22,25)(H,23,24)
• InChIKey: BETGSLQDIBWWHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-pentanamido-N-[3-(pyridin-3-yloxy)propyl]benzamide
• IUPAC Traditional name: 4-pentanamido-N-[3-(pyridin-3-yloxy)propyl]benzamide
• Synonyms: 4-(pentanoylamino)-N-[3-(pyridin-3-yloxy)propyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.590502
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.2914245
• LogD (pH = 7.4): 2.36031
• Log P: 2.3612826
• Molar Refractivity: 101.9857 cm^3
• Polarizability: 38.464325 Å^3
• Polar Surface Area: 80.32 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.15
• LOG S: -4.48
• Polar Surface Area: 80.32 Å^2
• Rotatable Bonds: 10