methyl 2-[1-(2-methoxyethyl)-2,4-dioxo-8-(propan-2-yl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetate

• ChemBase ID: 501054
• Molecular Formular: C16H27N3O5
• Molecular Mass: 341.40268
• Monoisotopic Mass: 341.19507098
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)C(C)C)CCOC)CC(=O)OC
• Canonical SMILES: COCCN1C(=O)N(C(=O)C21CCN(CC2)C(C)C)CC(=O)OC
• InChI: InChI=1S/C16H27N3O5/c1-12(2)17-7-5-16(6-8-17)14(21)18(11-13(20)24-4)15(22)19(16)9-10-23-3/h12H,5-11H2,1-4H3
• InChIKey: XFQBHVLTJWTOHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-[1-(2-methoxyethyl)-2,4-dioxo-8-(propan-2-yl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetate
• IUPAC Traditional name: methyl 2-[8-isopropyl-1-(2-methoxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate
• Synonyms: methyl [8-isopropyl-1-(2-methoxyethyl)-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): -3.6607392
• LogD (pH = 7.4): -2.1353679
• Log P: -0.3976302
• Molar Refractivity: 87.395 cm^3
• Polarizability: 34.24039 Å^3
• Polar Surface Area: 79.39 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.43
• LOG S: -0.8
• Polar Surface Area: 79.39 Å^2
• Rotatable Bonds: 4