2-(9-{[2-(2-hydroxyethoxy)phenyl]methyl}-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl)acetamide

• ChemBase ID: 829644
• Molecular Formular: C20H29N3O4
• Molecular Mass: 375.46196
• Monoisotopic Mass: 375.21580642
• SMILES: N1(C(=O)CCC2(C1)CCN(Cc1c(OCCO)cccc1)CC2)CC(=O)N
• Canonical SMILES: OCCOc1ccccc1CN1CCC2(CC1)CCC(=O)N(C2)CC(=O)N
• InChI: InChI=1S/C20H29N3O4/c21-18(25)14-23-15-20(6-5-19(23)26)7-9-22(10-8-20)13-16-3-1-2-4-17(16)27-12-11-24/h1-4,24H,5-15H2,(H2,21,25)
• InChIKey: VLBBUYQZDVUELC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(9-{[2-(2-hydroxyethoxy)phenyl]methyl}-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl)acetamide
• IUPAC Traditional name: 2-(9-{[2-(2-hydroxyethoxy)phenyl]methyl}-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl)acetamide
• Synonyms: 2-{9-[2-(2-hydroxyethoxy)benzyl]-3-oxo-2,9-diazaspiro[5.5]undec-2-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.059059
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -3.2970111
• LogD (pH = 7.4): -1.55607
• Log P: -0.37754667
• Molar Refractivity: 102.4251 cm^3
• Polarizability: 39.908363 Å^3
• Polar Surface Area: 96.1 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.26
• LOG S: -3.02
• Polar Surface Area: 96.1 Å^2
• Rotatable Bonds: 7