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

• ChemBase ID: 771349
• Molecular Formular: C19H29N3O3
• Molecular Mass: 347.45186
• Monoisotopic Mass: 347.2208918
• SMILES: C(=O)(NC1CCCCCC1)CCC(=O)NCCCOc1cnccc1
• Canonical SMILES: O=C(CCC(=O)NC1CCCCCC1)NCCCOc1cccnc1
• InChI: InChI=1S/C19H29N3O3/c23-18(21-13-6-14-25-17-9-5-12-20-15-17)10-11-19(24)22-16-7-3-1-2-4-8-16/h5,9,12,15-16H,1-4,6-8,10-11,13-14H2,(H,21,23)(H,22,24)
• InChIKey: LTDCYOSAKFMPBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.329561
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.0953021
• LogD (pH = 7.4): 1.1641877
• Log P: 1.1651601
• Molar Refractivity: 95.8507 cm^3
• Polarizability: 37.586933 Å^3
• Polar Surface Area: 80.32 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.71
• LOG S: -4.05
• Polar Surface Area: 80.32 Å^2
• Rotatable Bonds: 9