7-(cyclobutylmethyl)-2-{2-[(2-methoxyethyl)(methyl)amino]acetyl}-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 787516
• Molecular Formular: C19H33N3O3
• Molecular Mass: 351.48362
• Monoisotopic Mass: 351.25219193
• SMILES: C12(C(=O)N(CC3CCC3)CCC2)CN(C(=O)CN(CCOC)C)CC1
• Canonical SMILES: COCCN(CC(=O)N1CCC2(C1)CCCN(C2=O)CC1CCC1)C
• InChI: InChI=1S/C19H33N3O3/c1-20(11-12-25-2)14-17(23)22-10-8-19(15-22)7-4-9-21(18(19)24)13-16-5-3-6-16/h16H,3-15H2,1-2H3
• InChIKey: IGPZBASBQWBBBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclobutylmethyl)-2-{2-[(2-methoxyethyl)(methyl)amino]acetyl}-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(cyclobutylmethyl)-2-{2-[(2-methoxyethyl)(methyl)amino]acetyl}-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(cyclobutylmethyl)-2-[N-(2-methoxyethyl)-N-methylglycyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.2730012
• LogD (pH = 7.4): 0.22230217
• Log P: 0.43864176
• Molar Refractivity: 97.8877 cm^3
• Polarizability: 38.18652 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: 0.72
• LOG S: -2.38
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 7