N-[2-(4-methoxyphenyl)ethyl]-2-{7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}acetamide

• ChemBase ID: 313917
• Molecular Formular: C20H29N3O3
• Molecular Mass: 359.46256
• Monoisotopic Mass: 359.2208918
• SMILES: C12(C(=O)N(CCC2)C)CN(CC(=O)NCCc2ccc(cc2)OC)CC1
• Canonical SMILES: COc1ccc(cc1)CCNC(=O)CN1CCC2(C1)CCCN(C2=O)C
• InChI: InChI=1S/C20H29N3O3/c1-22-12-3-9-20(19(22)25)10-13-23(15-20)14-18(24)21-11-8-16-4-6-17(26-2)7-5-16/h4-7H,3,8-15H2,1-2H3,(H,21,24)
• InChIKey: YFSGLHYOWMXOHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-methoxyphenyl)ethyl]-2-{7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}acetamide
• IUPAC Traditional name: N-[2-(4-methoxyphenyl)ethyl]-2-{7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}acetamide
• Synonyms: N-[2-(4-methoxyphenyl)ethyl]-2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]dec-2-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.520543
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.9030309
• LogD (pH = 7.4): -0.13847984
• Log P: 0.89225835
• Molar Refractivity: 101.2353 cm^3
• Polarizability: 39.274235 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.03
• LOG S: -3.56
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 6