N-methyl-2-{8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl}-N-(3-phenoxypropyl)acetamide

• ChemBase ID: 648226
• Molecular Formular: C21H31N3O3
• Molecular Mass: 373.48914
• Monoisotopic Mass: 373.23654187
• SMILES: N1(C(=O)CC2(C1)CCN(CC2)C)CC(=O)N(CCCOc1ccccc1)C
• Canonical SMILES: CN1CCC2(CC1)CC(=O)N(C2)CC(=O)N(CCCOc1ccccc1)C
• InChI: InChI=1S/C21H31N3O3/c1-22-12-9-21(10-13-22)15-19(25)24(17-21)16-20(26)23(2)11-6-14-27-18-7-4-3-5-8-18/h3-5,7-8H,6,9-17H2,1-2H3
• InChIKey: XCOJYTLCQWKCSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.51148
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.6978254
• LogD (pH = 7.4): -1.0626817
• Log P: 0.45254633
• Molar Refractivity: 105.667 cm^3
• Polarizability: 41.116833 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: 1.72
• LOG S: -3.39
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 7