2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)acetamide

• ChemBase ID: 855494
• Molecular Formular: C18H23N3O3
• Molecular Mass: 329.39352
• Monoisotopic Mass: 329.17394161
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)NCc1cc2c(cc1)CCCC2)C)C
• Canonical SMILES: O=C(CC1N(C)C(=O)N(C1=O)C)NCc1ccc2c(c1)CCCC2
• InChI: InChI=1S/C18H23N3O3/c1-20-15(17(23)21(2)18(20)24)10-16(22)19-11-12-7-8-13-5-3-4-6-14(13)9-12/h7-9,15H,3-6,10-11H2,1-2H3,(H,19,22)
• InChIKey: RNZFXSABNFJJMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)acetamide
• IUPAC Traditional name: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)acetamide
• Synonyms: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.189348
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5175447
• LogD (pH = 7.4): 1.5175447
• Log P: 1.5175447
• Molar Refractivity: 90.1825 cm^3
• Polarizability: 34.46013 Å^3
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.89
• LOG S: -2.36
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 4