8-[2-(2-methoxyphenoxy)ethyl]-2-(propan-2-yl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 784336
• Molecular Formular: C21H32N2O3
• Molecular Mass: 360.49038
• Monoisotopic Mass: 360.24129289
• SMILES: N1(C(=O)CCC2(C1)CN(CCOc1c(OC)cccc1)CCC2)C(C)C
• Canonical SMILES: COc1ccccc1OCCN1CCCC2(C1)CCC(=O)N(C2)C(C)C
• InChI: InChI=1S/C21H32N2O3/c1-17(2)23-16-21(11-9-20(23)24)10-6-12-22(15-21)13-14-26-19-8-5-4-7-18(19)25-3/h4-5,7-8,17H,6,9-16H2,1-3H3
• InChIKey: WAOWLBHIBXMXOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[2-(2-methoxyphenoxy)ethyl]-2-(propan-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-isopropyl-8-[2-(2-methoxyphenoxy)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-isopropyl-8-[2-(2-methoxyphenoxy)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.3168816
• LogD (pH = 7.4): 1.4460832
• Log P: 2.4903815
• Molar Refractivity: 103.179 cm^3
• Polarizability: 40.582718 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.17
• LOG S: -4.54
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 6