9-(2-ethoxypropanoyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 756362
• Molecular Formular: C20H29N3O3
• Molecular Mass: 359.46256
• Monoisotopic Mass: 359.2208918
• SMILES: N1(C(=O)CCC2(C1)CCN(C(=O)C(OCC)C)CC2)Cc1cnccc1
• Canonical SMILES: CCOC(C(=O)N1CCC2(CC1)CCC(=O)N(C2)Cc1cccnc1)C
• InChI: InChI=1S/C20H29N3O3/c1-3-26-16(2)19(25)22-11-8-20(9-12-22)7-6-18(24)23(15-20)14-17-5-4-10-21-13-17/h4-5,10,13,16H,3,6-9,11-12,14-15H2,1-2H3
• InChIKey: PTGJKRZZJVJFMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(2-ethoxypropanoyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 9-(2-ethoxypropanoyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 9-(2-ethoxypropanoyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.48758405
• LogD (pH = 7.4): 0.55884886
• Log P: 0.5598585
• Molar Refractivity: 99.573 cm^3
• Polarizability: 38.712193 Å^3
• Polar Surface Area: 62.74 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: 0.8
• LOG S: -1.2
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 5