methyl 2-[8-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate

• ChemBase ID: 398774
• Molecular Formular: C24H35N3O5
• Molecular Mass: 445.5518
• Monoisotopic Mass: 445.25767124
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)CC(C)(C)C)CCc1ccc(cc1)OC)CC(=O)OC
• Canonical SMILES: COC(=O)CN1C(=O)N(C2(C1=O)CCN(CC2)CC(C)(C)C)CCc1ccc(cc1)OC
• InChI: InChI=1S/C24H35N3O5/c1-23(2,3)17-25-14-11-24(12-15-25)21(29)26(16-20(28)32-5)22(30)27(24)13-10-18-6-8-19(31-4)9-7-18/h6-9H,10-17H2,1-5H3
• InChIKey: HFYGFNFAINWSCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-[8-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate
• IUPAC Traditional name: methyl 2-[8-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate
• Synonyms: methyl {8-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]dec-3-yl}acetate

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.9979573
• LogD (pH = 7.4): 0.37561208
• Log P: 2.3537295
• Molar Refractivity: 121.1572 cm^3
• Polarizability: 47.426403 Å^3
• Polar Surface Area: 79.39 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 3.19
• LOG S: -3.35
• Polar Surface Area: 79.39 Å^2
• Rotatable Bonds: 7