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

• ChemBase ID: 552043
• Molecular Formular: C20H31N3O2
• Molecular Mass: 345.47904
• Monoisotopic Mass: 345.24162725
• SMILES: C(=O)(C1N(CC2(C1)CCNCC2)C)N(Cc1ccc(cc1)OC)CC
• Canonical SMILES: CCN(C(=O)C1CC2(CN1C)CCNCC2)Cc1ccc(cc1)OC
• InChI: InChI=1S/C20H31N3O2/c1-4-23(14-16-5-7-17(25-3)8-6-16)19(24)18-13-20(15-22(18)2)9-11-21-12-10-20/h5-8,18,21H,4,9-15H2,1-3H3
• InChIKey: SBPUGODDJRPSAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.6740527
• LogD (pH = 7.4): -2.4517663
• Log P: 1.4529552
• Molar Refractivity: 100.8989 cm^3
• Polarizability: 39.589455 Å^3
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.6
• LOG S: -3.09
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 5