3-{3-[methyl(2-methylpropyl)amino]propyl}-8-(oxolane-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 459341
• Molecular Formular: C20H35N3O4
• Molecular Mass: 381.5096
• Monoisotopic Mass: 381.26275662
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)C1COCC1)CC2)CCCN(CC(C)C)C
• Canonical SMILES: CC(CN(CCCN1CC2(OC1=O)CCN(CC2)C(=O)C1COCC1)C)C
• InChI: InChI=1S/C20H35N3O4/c1-16(2)13-21(3)8-4-9-23-15-20(27-19(23)25)6-10-22(11-7-20)18(24)17-5-12-26-14-17/h16-17H,4-15H2,1-3H3
• InChIKey: ONGAXGARUAOJJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{3-[methyl(2-methylpropyl)amino]propyl}-8-(oxolane-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 3-{3-[methyl(2-methylpropyl)amino]propyl}-8-(oxolane-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 3-{3-[isobutyl(methyl)amino]propyl}-8-(tetrahydrofuran-3-ylcarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• Log P: 0.4975512
• Molar Refractivity: 104.1502 cm^3
• Polarizability: 40.73655 Å^3
• Polar Surface Area: 62.32 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.9664016
• LogD (pH = 7.4): -2.0934353

供应商提供(Chembridge)

• Log P: 1.52
• LOG S: -3.28
• Polar Surface Area: 62.32 Å^2
• Rotatable Bonds: 7
• H Acceptors: 5
• H Donor: 0