N-cyclopentyl-2-{[3-(pyrrolidin-1-yl)propyl]amino}propanamide

• ChemBase ID: 865867
• Molecular Formular: C15H29N3O
• Molecular Mass: 267.41026
• Monoisotopic Mass: 267.23106256
• SMILES: C(=O)(NC1CCCC1)C(NCCCN1CCCC1)C
• Canonical SMILES: CC(C(=O)NC1CCCC1)NCCCN1CCCC1
• InChI: InChI=1S/C15H29N3O/c1-13(15(19)17-14-7-2-3-8-14)16-9-6-12-18-10-4-5-11-18/h13-14,16H,2-12H2,1H3,(H,17,19)
• InChIKey: PHXVKWMIDYPWTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2-{[3-(pyrrolidin-1-yl)propyl]amino}propanamide
• IUPAC Traditional name: N-cyclopentyl-2-{[3-(pyrrolidin-1-yl)propyl]amino}propanamide
• Synonyms: N-cyclopentyl-2-[(3-pyrrolidin-1-ylpropyl)amino]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.915159
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.0815616
• LogD (pH = 7.4): -1.6549307
• Log P: 1.1097062
• Molar Refractivity: 78.8295 cm^3
• Polarizability: 31.16243 Å^3
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.83
• LOG S: -2.71
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 7