2-cyclopropyl-8-[2-(4-methoxyphenoxy)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 610717
• Molecular Formular: C21H30N2O3
• Molecular Mass: 358.4745
• Monoisotopic Mass: 358.22564283
• SMILES: N1(C(=O)CCC2(C1)CN(CCOc1ccc(cc1)OC)CCC2)C1CC1
• Canonical SMILES: COc1ccc(cc1)OCCN1CCCC2(C1)CCC(=O)N(C2)C1CC1
• InChI: InChI=1S/C21H30N2O3/c1-25-18-5-7-19(8-6-18)26-14-13-22-12-2-10-21(15-22)11-9-20(24)23(16-21)17-3-4-17/h5-8,17H,2-4,9-16H2,1H3
• InChIKey: YXBQDDJOAKUHNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-8-[2-(4-methoxyphenoxy)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-cyclopropyl-8-[2-(4-methoxyphenoxy)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-cyclopropyl-8-[2-(4-methoxyphenoxy)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.7756659
• LogD (pH = 7.4): 0.9541864
• Log P: 2.182563
• Molar Refractivity: 101.2228 cm^3
• Polarizability: 39.851955 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: 2.8
• LOG S: -4.21
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 6