8-(2-aminoacetyl)-3-{2-[cyclohexyl(methyl)amino]ethyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 430308
• Molecular Formular: C18H32N4O3
• Molecular Mass: 352.47168
• Monoisotopic Mass: 352.2474409
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)CN)CC2)CCN(C1CCCCC1)C
• Canonical SMILES: NCC(=O)N1CCC2(CC1)CN(C(=O)O2)CCN(C1CCCCC1)C
• InChI: InChI=1S/C18H32N4O3/c1-20(15-5-3-2-4-6-15)11-12-22-14-18(25-17(22)24)7-9-21(10-8-18)16(23)13-19/h15H,2-14,19H2,1H3
• InChIKey: MWIUYDJKUGMPHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2-aminoacetyl)-3-{2-[cyclohexyl(methyl)amino]ethyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(2-aminoacetyl)-3-{2-[cyclohexyl(methyl)amino]ethyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 3-{2-[cyclohexyl(methyl)amino]ethyl}-8-glycyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -5.9262757
• LogD (pH = 7.4): -2.9259324
• Log P: -0.06391562
• Molar Refractivity: 95.9188 cm^3
• Polarizability: 37.878532 Å^3
• Polar Surface Area: 79.11 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.44
• LOG S: -3.0
• Polar Surface Area: 79.11 Å^2
• Rotatable Bonds: 5