8-methyl-N-[(4-methylpyridin-2-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase ID: 554909
• Molecular Formular: C20H32N4O
• Molecular Mass: 344.49428
• Monoisotopic Mass: 344.25761166
• SMILES: N1(C(C(=O)NCc2nccc(c2)C)CC2(C1)CCN(CC2)C)CCC
• Canonical SMILES: CCCN1CC2(CC1C(=O)NCc1nccc(c1)C)CCN(CC2)C
• InChI: InChI=1S/C20H32N4O/c1-4-9-24-15-20(6-10-23(3)11-7-20)13-18(24)19(25)22-14-17-12-16(2)5-8-21-17/h5,8,12,18H,4,6-7,9-11,13-15H2,1-3H3,(H,22,25)
• InChIKey: ABJNYKCBYWGHPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methyl-N-[(4-methylpyridin-2-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC Traditional name: 8-methyl-N-[(4-methylpyridin-2-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• Synonyms: 8-methyl-N-[(4-methyl-2-pyridinyl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.977504
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.735262
• LogD (pH = 7.4): -2.0300305
• Log P: 1.6697416
• Molar Refractivity: 101.7198 cm^3
• Polarizability: 39.78082 Å^3
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.29
• LOG S: -1.51
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 5