N'-cyclopentyl-N-(3-propoxypropyl)butanediamide

• ChemBase ID: 781904
• Molecular Formular: C15H28N2O3
• Molecular Mass: 284.39442
• Monoisotopic Mass: 284.20999277
• SMILES: C(=O)(NC1CCCC1)CCC(=O)NCCCOCCC
• Canonical SMILES: CCCOCCCNC(=O)CCC(=O)NC1CCCC1
• InChI: InChI=1S/C15H28N2O3/c1-2-11-20-12-5-10-16-14(18)8-9-15(19)17-13-6-3-4-7-13/h13H,2-12H2,1H3,(H,16,18)(H,17,19)
• InChIKey: CGFGDDNEEGDPDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-cyclopentyl-N-(3-propoxypropyl)butanediamide
• IUPAC Traditional name: N'-cyclopentyl-N-(3-propoxypropyl)succinamide
• Synonyms: N-cyclopentyl-N'-(3-propoxypropyl)succinamide

CALCULATED PROPERTIES

JChem

• Polarizability: 30.753216 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true
• Acid pKa: 15.502392
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.6820003
• LogD (pH = 7.4): 0.6820004
• Log P: 0.6820004
• Molar Refractivity: 78.5695 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 10
• H Acceptors: 3
• H Donor: 2
• Log P: 1.64
• LOG S: -2.68