N-(2-tert-butyl-6-methylphenyl)-2-methyl-2,8-diazaspiro[4.5]decane-8-carboxamide

• ChemBase ID: 515017
• Molecular Formular: C21H33N3O
• Molecular Mass: 343.50622
• Monoisotopic Mass: 343.26236269
• SMILES: C(=O)(Nc1c(C(C)(C)C)cccc1C)N1CCC2(CN(CC2)C)CC1
• Canonical SMILES: CN1CCC2(C1)CCN(CC2)C(=O)Nc1c(C)cccc1C(C)(C)C
• InChI: InChI=1S/C21H33N3O/c1-16-7-6-8-17(20(2,3)4)18(16)22-19(25)24-13-10-21(11-14-24)9-12-23(5)15-21/h6-8H,9-15H2,1-5H3,(H,22,25)
• InChIKey: PJBUKJPGHXIXEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-tert-butyl-6-methylphenyl)-2-methyl-2,8-diazaspiro[4.5]decane-8-carboxamide
• IUPAC Traditional name: N-(2-tert-butyl-6-methylphenyl)-2-methyl-2,8-diazaspiro[4.5]decane-8-carboxamide
• Synonyms: N-(2-tert-butyl-6-methylphenyl)-2-methyl-2,8-diazaspiro[4.5]decane-8-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.583143
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.40145686
• LogD (pH = 7.4): 1.719854
• Log P: 3.7751153
• Molar Refractivity: 106.0338 cm^3
• Polarizability: 40.207417 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.91
• LOG S: -3.34
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 2