2-[1-ethyl-8-(1-methoxypropan-2-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

• ChemBase ID: 673976
• Molecular Formular: C15H26N4O4
• Molecular Mass: 326.39134
• Monoisotopic Mass: 326.19540533
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)C(COC)C)CC)CC(=O)N
• Canonical SMILES: COCC(N1CCC2(CC1)N(CC)C(=O)N(C2=O)CC(=O)N)C
• InChI: InChI=1S/C15H26N4O4/c1-4-19-14(22)18(9-12(16)20)13(21)15(19)5-7-17(8-6-15)11(2)10-23-3/h11H,4-10H2,1-3H3,(H2,16,20)
• InChIKey: BHDTXDDPZLFURU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1-ethyl-8-(1-methoxypropan-2-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
• IUPAC Traditional name: 2-[1-ethyl-8-(1-methoxypropan-2-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
• Synonyms: 2-[1-ethyl-8-(2-methoxy-1-methylethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]dec-3-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.690109
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -4.469546
• LogD (pH = 7.4): -2.8130462
• Log P: -1.3504668
• Molar Refractivity: 84.4481 cm^3
• Polarizability: 32.83373 Å^3
• Polar Surface Area: 96.18 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.89
• LOG S: -0.58
• Polar Surface Area: 96.18 Å^2
• Rotatable Bonds: 4