8-[2-(methylamino)pyridine-4-carbonyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 565447
• Molecular Formular: C22H26N4O4
• Molecular Mass: 410.46624
• Monoisotopic Mass: 410.19540533
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)c1cc(ncc1)NC)CC2)CCOc1ccccc1
• Canonical SMILES: CNc1nccc(c1)C(=O)N1CCC2(CC1)OC(=O)N(C2)CCOc1ccccc1
• InChI: InChI=1S/C22H26N4O4/c1-23-19-15-17(7-10-24-19)20(27)25-11-8-22(9-12-25)16-26(21(28)30-22)13-14-29-18-5-3-2-4-6-18/h2-7,10,15H,8-9,11-14,16H2,1H3,(H,23,24)
• InChIKey: WTRCCEIWEYECDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[2-(methylamino)pyridine-4-carbonyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-[2-(methylamino)pyridine-4-carbonyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-[2-(methylamino)isonicotinoyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.3008871
• LogD (pH = 7.4): 1.3888322
• Log P: 1.3900864
• Molar Refractivity: 113.0989 cm^3
• Polarizability: 42.56811 Å^3
• Polar Surface Area: 84.0 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: 2.03
• LOG S: -3.93
• Polar Surface Area: 84.0 Å^2
• Rotatable Bonds: 6