N-[(4-methoxyphenyl)methyl]-2-{8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl}-N-propylacetamide

• ChemBase ID: 389343
• Molecular Formular: C22H33N3O3
• Molecular Mass: 387.51572
• Monoisotopic Mass: 387.25219193
• SMILES: N1(C(=O)CC2(C1)CCN(CC2)C)CC(=O)N(Cc1ccc(cc1)OC)CCC
• Canonical SMILES: CCCN(C(=O)CN1CC2(CC1=O)CCN(CC2)C)Cc1ccc(cc1)OC
• InChI: InChI=1S/C22H33N3O3/c1-4-11-24(15-18-5-7-19(28-3)8-6-18)21(27)16-25-17-22(14-20(25)26)9-12-23(2)13-10-22/h5-8H,4,9-17H2,1-3H3
• InChIKey: XAHCOEHCISPFPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-methoxyphenyl)methyl]-2-{8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl}-N-propylacetamide
• IUPAC Traditional name: N-[(4-methoxyphenyl)methyl]-2-{8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl}-N-propylacetamide
• Synonyms: N-(4-methoxybenzyl)-2-(8-methyl-3-oxo-2,8-diazaspiro[4.5]dec-2-yl)-N-propylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.431223
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.9557027
• LogD (pH = 7.4): -0.32055882
• Log P: 1.1946691
• Molar Refractivity: 110.5978 cm^3
• Polarizability: 42.952457 Å^3
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.32
• LOG S: -4.01
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 7