N-[2-(4-ethoxyphenyl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase ID: 828386
• Molecular Formular: C19H29N3O2
• Molecular Mass: 331.45246
• Monoisotopic Mass: 331.22597718
• SMILES: N1C(C(=O)NCCc2ccc(cc2)OCC)CC2(C1)CCNCC2
• Canonical SMILES: CCOc1ccc(cc1)CCNC(=O)C1NCC2(C1)CCNCC2
• InChI: InChI=1S/C19H29N3O2/c1-2-24-16-5-3-15(4-6-16)7-10-21-18(23)17-13-19(14-22-17)8-11-20-12-9-19/h3-6,17,20,22H,2,7-14H2,1H3,(H,21,23)
• InChIKey: YVMDYXSMEDUXRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-ethoxyphenyl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC Traditional name: N-[2-(4-ethoxyphenyl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
• Synonyms: N-[2-(4-ethoxyphenyl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.611588
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -5.305892
• LogD (pH = 7.4): -4.016413
• Log P: 1.1348925
• Molar Refractivity: 95.4625 cm^3
• Polarizability: 37.74823 Å^3
• Polar Surface Area: 62.39 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 1.25
• LOG S: -2.69
• Polar Surface Area: 62.39 Å^2
• Rotatable Bonds: 6