N-cyclopentyl-N'-[2-(pyridin-3-yloxy)propyl]butanediamide

• ChemBase ID: 838873
• Molecular Formular: C17H25N3O3
• Molecular Mass: 319.3987
• Monoisotopic Mass: 319.18959168
• SMILES: C(=O)(NC1CCCC1)CCC(=O)NCC(Oc1cnccc1)C
• Canonical SMILES: O=C(CCC(=O)NC1CCCC1)NCC(Oc1cccnc1)C
• InChI: InChI=1S/C17H25N3O3/c1-13(23-15-7-4-10-18-12-15)11-19-16(21)8-9-17(22)20-14-5-2-3-6-14/h4,7,10,12-14H,2-3,5-6,8-9,11H2,1H3,(H,19,21)(H,20,22)
• InChIKey: GTIRNEIDZRVDAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-N'-[2-(pyridin-3-yloxy)propyl]butanediamide
• IUPAC Traditional name: N-cyclopentyl-N'-[2-(pyridin-3-yloxy)propyl]succinamide
• Synonyms: N-cyclopentyl-N'-[2-(pyridin-3-yloxy)propyl]succinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.066172
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.5648161
• LogD (pH = 7.4): 0.63169676
• Log P: 0.63263804
• Molar Refractivity: 86.2021 cm^3
• Polarizability: 33.912117 Å^3
• Polar Surface Area: 80.32 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: 1.57
• LOG S: -2.87
• Polar Surface Area: 80.32 Å^2
• Rotatable Bonds: 8