methyl 3-{3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl}propanoate

• ChemBase ID: 698435
• Molecular Formular: C23H33N3O5
• Molecular Mass: 431.52522
• Monoisotopic Mass: 431.24202117
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)CCC(=O)OC)CC(C)C)Cc1ccc(cc1)OC
• Canonical SMILES: COC(=O)CCN1CCC2(CC1)C(=O)N(C(=O)N2CC(C)C)Cc1ccc(cc1)OC
• InChI: InChI=1S/C23H33N3O5/c1-17(2)15-26-22(29)25(16-18-5-7-19(30-3)8-6-18)21(28)23(26)10-13-24(14-11-23)12-9-20(27)31-4/h5-8,17H,9-16H2,1-4H3
• InChIKey: NVAGORCYIPGTEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3-{3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl}propanoate
• IUPAC Traditional name: methyl 3-{3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl}propanoate
• Synonyms: methyl 3-[1-isobutyl-3-(4-methoxybenzyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]dec-8-yl]propanoate

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.011768
• LogD (pH = 7.4): 0.72473276
• Log P: 1.92408
• Molar Refractivity: 116.7035 cm^3
• Polarizability: 45.58798 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: 2.51
• LOG S: -2.83
• Polar Surface Area: 79.39 Å^2
• Rotatable Bonds: 6