8-(2-oxoimidazolidine-4-carbonyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 697344
• Molecular Formular: C21H28N4O3
• Molecular Mass: 384.47202
• Monoisotopic Mass: 384.21614078
• SMILES: C1(C(=O)N2CCC3(CN(C(=O)C3)CCCc3ccccc3)CC2)NC(=O)NC1
• Canonical SMILES: O=C1NCC(N1)C(=O)N1CCC2(CC1)CC(=O)N(C2)CCCc1ccccc1
• InChI: InChI=1S/C21H28N4O3/c26-18-13-21(15-25(18)10-4-7-16-5-2-1-3-6-16)8-11-24(12-9-21)19(27)17-14-22-20(28)23-17/h1-3,5-6,17H,4,7-15H2,(H2,22,23,28)
• InChIKey: BHUHWOKFDJIKOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2-oxoimidazolidine-4-carbonyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-(2-oxoimidazolidine-4-carbonyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-[(2-oxo-4-imidazolidinyl)carbonyl]-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.247634
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.1400197
• LogD (pH = 7.4): 0.14001955
• Log P: 0.1400201
• Molar Refractivity: 104.9422 cm^3
• Polarizability: 40.55051 Å^3
• Polar Surface Area: 81.75 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.92
• LOG S: -2.79
• Polar Surface Area: 81.75 Å^2
• Rotatable Bonds: 5