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

• ChemBase ID: 621281
• Molecular Formular: C24H31N3O
• Molecular Mass: 377.52244
• Monoisotopic Mass: 377.24671263
• SMILES: N1(C(=O)CCC2(C1)CCN(Cc1c(CC)cccc1)CC2)Cc1ncccc1
• Canonical SMILES: CCc1ccccc1CN1CCC2(CC1)CCC(=O)N(C2)Cc1ccccn1
• InChI: InChI=1S/C24H31N3O/c1-2-20-7-3-4-8-21(20)17-26-15-12-24(13-16-26)11-10-23(28)27(19-24)18-22-9-5-6-14-25-22/h3-9,14H,2,10-13,15-19H2,1H3
• InChIKey: LPMXEYVGTKOWKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.031367812
• LogD (pH = 7.4): 1.3420777
• Log P: 3.3454485
• Molar Refractivity: 113.3385 cm^3
• Polarizability: 44.181473 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.1
• LOG S: -3.3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 5