N-[4-(2-butoxyacetamido)-2-methoxyphenyl]butanamide

• ChemBase ID: 384577
• Molecular Formular: C17H26N2O4
• Molecular Mass: 322.39934
• Monoisotopic Mass: 322.18925732
• SMILES: N(c1c(cc(NC(=O)COCCCC)cc1)OC)C(=O)CCC
• Canonical SMILES: CCCCOCC(=O)Nc1ccc(c(c1)OC)NC(=O)CCC
• InChI: InChI=1S/C17H26N2O4/c1-4-6-10-23-12-17(21)18-13-8-9-14(15(11-13)22-3)19-16(20)7-5-2/h8-9,11H,4-7,10,12H2,1-3H3,(H,18,21)(H,19,20)
• InChIKey: BKGMOECZSBODAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(2-butoxyacetamido)-2-methoxyphenyl]butanamide
• IUPAC Traditional name: N-[4-(2-butoxyacetamido)-2-methoxyphenyl]butanamide
• Synonyms: N-{4-[(butoxyacetyl)amino]-2-methoxyphenyl}butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.3679285
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.5858772
• LogD (pH = 7.4): 2.585873
• Log P: 2.5858772
• Molar Refractivity: 91.8021 cm^3
• Polarizability: 34.36289 Å^3
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.01
• LOG S: -3.27
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 10