N-benzyl-2-[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]acetamide

• ChemBase ID: 328023
• Molecular Formular: C20H29N3O3
• Molecular Mass: 359.46256
• Monoisotopic Mass: 359.2208918
• SMILES: C12(C(=O)N(CCC2)CCOC)CN(CC(=O)NCc2ccccc2)CC1
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)CC(=O)NCc1ccccc1
• InChI: InChI=1S/C20H29N3O3/c1-26-13-12-23-10-5-8-20(19(23)25)9-11-22(16-20)15-18(24)21-14-17-6-3-2-4-7-17/h2-4,6-7H,5,8-16H2,1H3,(H,21,24)
• InChIKey: HGUXBMDMDJOZDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]acetamide
• IUPAC Traditional name: N-benzyl-2-[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]acetamide
• Synonyms: N-benzyl-2-[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]dec-2-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.386404
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.9891077
• LogD (pH = 7.4): -0.21656427
• Log P: 0.7142929
• Molar Refractivity: 101.0606 cm^3
• Polarizability: 39.289093 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.48
• LOG S: -3.08
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 7