N,N-dimethyl-2-{9-oxo-8-[2-(pyridin-2-yl)ethyl]-2,8-diazaspiro[5.5]undecan-2-yl}acetamide

• ChemBase ID: 576311
• Molecular Formular: C20H30N4O2
• Molecular Mass: 358.4778
• Monoisotopic Mass: 358.23687622
• SMILES: N1(C(=O)CCC2(C1)CN(CC(=O)N(C)C)CCC2)CCc1ncccc1
• Canonical SMILES: O=C(N(C)C)CN1CCCC2(C1)CCC(=O)N(C2)CCc1ccccn1
• InChI: InChI=1S/C20H30N4O2/c1-22(2)19(26)14-23-12-5-9-20(15-23)10-7-18(25)24(16-20)13-8-17-6-3-4-11-21-17/h3-4,6,11H,5,7-10,12-16H2,1-2H3
• InChIKey: HUKINWSZRFVJHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-{9-oxo-8-[2-(pyridin-2-yl)ethyl]-2,8-diazaspiro[5.5]undecan-2-yl}acetamide
• IUPAC Traditional name: N,N-dimethyl-2-{9-oxo-8-[2-(pyridin-2-yl)ethyl]-2,8-diazaspiro[5.5]undecan-2-yl}acetamide
• Synonyms: N,N-dimethyl-2-{9-oxo-8-[2-(2-pyridinyl)ethyl]-2,8-diazaspiro[5.5]undec-2-yl}acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.1045563
• LogD (pH = 7.4): -0.34086388
• Log P: 0.1742984
• Molar Refractivity: 101.3293 cm^3
• Polarizability: 39.53911 Å^3
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.53
• LOG S: -0.97
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 5