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

• ChemBase ID: 409283
• Molecular Formular: C20H30N4O5
• Molecular Mass: 406.476
• Monoisotopic Mass: 406.22162008
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)c1c(nccc1)OC)CC2)CCN(CCOC)C
• Canonical SMILES: COCCN(CCN1CC2(OC1=O)CCN(CC2)C(=O)c1cccnc1OC)C
• InChI: InChI=1S/C20H30N4O5/c1-22(13-14-27-2)11-12-24-15-20(29-19(24)26)6-9-23(10-7-20)18(25)16-5-4-8-21-17(16)28-3/h4-5,8H,6-7,9-15H2,1-3H3
• InChIKey: OHIHDBQWKWXRLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{2-[(2-methoxyethyl)(methyl)amino]ethyl}-8-(2-methoxypyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 3-{2-[(2-methoxyethyl)(methyl)amino]ethyl}-8-(2-methoxypyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 3-{2-[(2-methoxyethyl)(methyl)amino]ethyl}-8-[(2-methoxypyridin-3-yl)carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -2.470639
• LogD (pH = 7.4): -0.69868195
• Log P: 0.08725646
• Molar Refractivity: 107.8787 cm^3
• Polarizability: 41.46377 Å^3
• Polar Surface Area: 84.44 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: -0.2
• LOG S: -3.3
• Polar Surface Area: 84.44 Å^2
• Rotatable Bonds: 8