N'-cycloheptyl-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanediamide

• ChemBase ID: 563279
• Molecular Formular: C21H39N3O2
• Molecular Mass: 365.55326
• Monoisotopic Mass: 365.3042275
• SMILES: C1(N(C(=O)CCC(=O)NC2CCCCCC2)C)CC(NC(C1)(C)C)(C)C
• Canonical SMILES: O=C(NC1CCCCCC1)CCC(=O)N(C1CC(C)(C)NC(C1)(C)C)C
• InChI: InChI=1S/C21H39N3O2/c1-20(2)14-17(15-21(3,4)23-20)24(5)19(26)13-12-18(25)22-16-10-8-6-7-9-11-16/h16-17,23H,6-15H2,1-5H3,(H,22,25)
• InChIKey: CBFHKPVATSSOLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-cycloheptyl-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanediamide
• IUPAC Traditional name: N'-cycloheptyl-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)succinamide
• Synonyms: N'-cycloheptyl-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)succinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.12307
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.2917384
• LogD (pH = 7.4): -0.8548482
• Log P: 1.9405608
• Molar Refractivity: 105.7571 cm^3
• Polarizability: 41.89188 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.24
• LOG S: -4.63
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 5