methyl N-{1-[3-(2-ethylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxopropan-2-yl}carbamate

• ChemBase ID: 650981
• Molecular Formular: C18H31N3O5
• Molecular Mass: 369.45584
• Monoisotopic Mass: 369.22637111
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)C(NC(=O)OC)C)CC2)CC(CC)CC
• Canonical SMILES: CCC(CN1CC2(OC1=O)CCN(CC2)C(=O)C(NC(=O)OC)C)CC
• InChI: InChI=1S/C18H31N3O5/c1-5-14(6-2)11-21-12-18(26-17(21)24)7-9-20(10-8-18)15(22)13(3)19-16(23)25-4/h13-14H,5-12H2,1-4H3,(H,19,23)
• InChIKey: ICGRMRUDDMVZNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl N-{1-[3-(2-ethylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxopropan-2-yl}carbamate
• IUPAC Traditional name: methyl N-{1-[3-(2-ethylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxopropan-2-yl}carbamate
• Synonyms: methyl {2-[3-(2-ethylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]dec-8-yl]-1-methyl-2-oxoethyl}carbamate

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.302923
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2585118
• LogD (pH = 7.4): 1.2585113
• Log P: 1.2585118
• Molar Refractivity: 95.393 cm^3
• Polarizability: 37.525517 Å^3
• Polar Surface Area: 88.18 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.6
• LOG S: -4.11
• Polar Surface Area: 88.18 Å^2
• Rotatable Bonds: 7