N-cyclopentyl-2-{[(1-hydroxycyclohexyl)methyl]amino}propanamide

• ChemBase ID: 506625
• Molecular Formular: C15H28N2O2
• Molecular Mass: 268.39502
• Monoisotopic Mass: 268.21507815
• SMILES: C(=O)(NC1CCCC1)C(NCC1(O)CCCCC1)C
• Canonical SMILES: O=C(C(NCC1(O)CCCCC1)C)NC1CCCC1
• InChI: InChI=1S/C15H28N2O2/c1-12(14(18)17-13-7-3-4-8-13)16-11-15(19)9-5-2-6-10-15/h12-13,16,19H,2-11H2,1H3,(H,17,18)
• InChIKey: PDLKFNXGGAGPKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2-{[(1-hydroxycyclohexyl)methyl]amino}propanamide
• IUPAC Traditional name: N-cyclopentyl-2-{[(1-hydroxycyclohexyl)methyl]amino}propanamide
• Synonyms: N-cyclopentyl-2-{[(1-hydroxycyclohexyl)methyl]amino}propanamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• LOG S: -2.92
• Polar Surface Area: 61.36 Å^2
• Rotatable Bonds: 5
• H Acceptors: 3
• H Donor: 3
• Log P: 2.07

JChem

• Molar Refractivity: 75.6001 cm^3
• Polarizability: 30.253265 Å^3
• Polar Surface Area: 61.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 14.401607
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.3012648
• LogD (pH = 7.4): 0.266999
• Log P: 1.6582416