N-cyclopentyl-N'-methyl-N'-[2-(oxan-2-yl)ethyl]butanediamide

• ChemBase ID: 552784
• Molecular Formular: C17H30N2O3
• Molecular Mass: 310.4317
• Monoisotopic Mass: 310.22564283
• SMILES: C(=O)(N(CCC1OCCCC1)C)CCC(=O)NC1CCCC1
• Canonical SMILES: O=C(NC1CCCC1)CCC(=O)N(CCC1CCCCO1)C
• InChI: InChI=1S/C17H30N2O3/c1-19(12-11-15-8-4-5-13-22-15)17(21)10-9-16(20)18-14-6-2-3-7-14/h14-15H,2-13H2,1H3,(H,18,20)
• InChIKey: XPPWNDVKTZUBBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-N'-methyl-N'-[2-(oxan-2-yl)ethyl]butanediamide
• IUPAC Traditional name: N-cyclopentyl-N'-methyl-N'-[2-(oxan-2-yl)ethyl]succinamide
• Synonyms: N'-cyclopentyl-N-methyl-N-[2-(tetrahydro-2H-pyran-2-yl)ethyl]succinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.634393
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9364792
• LogD (pH = 7.4): 0.9364793
• Log P: 0.93647933
• Molar Refractivity: 86.0058 cm^3
• Polarizability: 33.705204 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.95
• LOG S: -3.13
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7