N-cyclohexyl-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(pyridin-3-ylmethyl)acetamide

• ChemBase ID: 842967
• Molecular Formular: C19H26N4O3
• Molecular Mass: 358.43474
• Monoisotopic Mass: 358.20049071
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)N(Cc1cnccc1)C1CCCCC1)C)C
• Canonical SMILES: O=C(N(C1CCCCC1)Cc1cccnc1)CC1N(C)C(=O)N(C1=O)C
• InChI: InChI=1S/C19H26N4O3/c1-21-16(18(25)22(2)19(21)26)11-17(24)23(15-8-4-3-5-9-15)13-14-7-6-10-20-12-14/h6-7,10,12,15-16H,3-5,8-9,11,13H2,1-2H3
• InChIKey: NQPHRMAOGFGZMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(pyridin-3-ylmethyl)acetamide
• IUPAC Traditional name: N-cyclohexyl-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(pyridin-3-ylmethyl)acetamide
• Synonyms: N-cyclohexyl-2-(1,3-dimethyl-2,5-dioxo-4-imidazolidinyl)-N-(3-pyridinylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.171532
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.798301
• LogD (pH = 7.4): 0.8695552
• Log P: 0.87056476
• Molar Refractivity: 96.4543 cm^3
• Polarizability: 37.40848 Å^3
• Polar Surface Area: 73.82 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: 0.06
• LOG S: -1.88
• Polar Surface Area: 73.82 Å^2
• Rotatable Bonds: 5