N-(cyclohex-1-en-1-ylmethyl)-5-acetamido-2-hydroxybenzamide

• ChemBase ID: 712132
• Molecular Formular: C16H20N2O3
• Molecular Mass: 288.3416
• Monoisotopic Mass: 288.14739251
• SMILES: c1(C(=O)NCC2=CCCCC2)c(ccc(c1)NC(=O)C)O
• Canonical SMILES: CC(=O)Nc1ccc(c(c1)C(=O)NCC1=CCCCC1)O
• InChI: InChI=1S/C16H20N2O3/c1-11(19)18-13-7-8-15(20)14(9-13)16(21)17-10-12-5-3-2-4-6-12/h5,7-9,20H,2-4,6,10H2,1H3,(H,17,21)(H,18,19)
• InChIKey: MTXFHPUBCJDPJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclohex-1-en-1-ylmethyl)-5-acetamido-2-hydroxybenzamide
• IUPAC Traditional name: N-(cyclohex-1-en-1-ylmethyl)-5-acetamido-2-hydroxybenzamide
• Synonyms: 5-(acetylamino)-N-(cyclohex-1-en-1-ylmethyl)-2-hydroxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.15179
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 2.4174044
• LogD (pH = 7.4): 2.3481066
• Log P: 2.4183648
• Molar Refractivity: 83.395 cm^3
• Polarizability: 30.575478 Å^3
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 2.88
• LOG S: -3.76
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 4