N,N-dimethyl-2-{1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl}acetamide

• ChemBase ID: 580491
• Molecular Formular: C19H27N3O2
• Molecular Mass: 329.43658
• Monoisotopic Mass: 329.21032712
• SMILES: C1(=O)N(C2(CC1c1ccccc1)CCN(CC(=O)N(C)C)CC2)C
• Canonical SMILES: O=C(N(C)C)CN1CCC2(CC1)CC(C(=O)N2C)c1ccccc1
• InChI: InChI=1S/C19H27N3O2/c1-20(2)17(23)14-22-11-9-19(10-12-22)13-16(18(24)21(19)3)15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3
• InChIKey: XYMCQWAYAKEKHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-{1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl}acetamide
• IUPAC Traditional name: N,N-dimethyl-2-{1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl}acetamide
• Synonyms: N,N-dimethyl-2-(1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]dec-8-yl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.68276
• LogD (pH = 7.4): -0.0135047035
• Log P: 0.3898247
• Molar Refractivity: 94.865 cm^3
• Polarizability: 36.751358 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.05
• LOG S: -2.5
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 3