N-(1-ethoxy-2-methylpropan-2-yl)-4-(3-hydroxy-3-methylbutyl)benzamide

• ChemBase ID: 551667
• Molecular Formular: C18H29NO3
• Molecular Mass: 307.42776
• Monoisotopic Mass: 307.21474379
• SMILES: C(=O)(NC(COCC)(C)C)c1ccc(cc1)CCC(O)(C)C
• Canonical SMILES: CCOCC(NC(=O)c1ccc(cc1)CCC(O)(C)C)(C)C
• InChI: InChI=1S/C18H29NO3/c1-6-22-13-17(2,3)19-16(20)15-9-7-14(8-10-15)11-12-18(4,5)21/h7-10,21H,6,11-13H2,1-5H3,(H,19,20)
• InChIKey: GVJZPEHDLWCJMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-ethoxy-2-methylpropan-2-yl)-4-(3-hydroxy-3-methylbutyl)benzamide
• IUPAC Traditional name: N-(1-ethoxy-2-methylpropan-2-yl)-4-(3-hydroxy-3-methylbutyl)benzamide
• Synonyms: N-(2-ethoxy-1,1-dimethylethyl)-4-(3-hydroxy-3-methylbutyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.072244
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.717578
• LogD (pH = 7.4): 2.7175782
• Log P: 2.7175782
• Molar Refractivity: 90.1111 cm^3
• Polarizability: 34.64842 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.46
• LOG S: -3.54
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 8