7-(cyclobutylmethyl)-2-(2-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 470824
• Molecular Formular: C21H28N2O3
• Molecular Mass: 356.45862
• Monoisotopic Mass: 356.20999277
• SMILES: C12(C(=O)N(CC3CCC3)CCC2)CN(C(=O)c2c(OC)cccc2)CC1
• Canonical SMILES: COc1ccccc1C(=O)N1CCC2(C1)CCCN(C2=O)CC1CCC1
• InChI: InChI=1S/C21H28N2O3/c1-26-18-9-3-2-8-17(18)19(24)23-13-11-21(15-23)10-5-12-22(20(21)25)14-16-6-4-7-16/h2-3,8-9,16H,4-7,10-15H2,1H3
• InChIKey: MMJLPZUDRFQVFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclobutylmethyl)-2-(2-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(cyclobutylmethyl)-2-(2-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(cyclobutylmethyl)-2-(2-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2906206
• LogD (pH = 7.4): 2.290622
• Log P: 2.290622
• Molar Refractivity: 100.5489 cm^3
• Polarizability: 38.647488 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.36
• LOG S: -3.66
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 3