N-[3-(2-butoxyacetamido)phenyl]-2-methoxybenzamide

• ChemBase ID: 535742
• Molecular Formular: C20H24N2O4
• Molecular Mass: 356.41556
• Monoisotopic Mass: 356.17360726
• SMILES: C(=O)(c1c(OC)cccc1)Nc1cc(NC(=O)COCCCC)ccc1
• Canonical SMILES: CCCCOCC(=O)Nc1cccc(c1)NC(=O)c1ccccc1OC
• InChI: InChI=1S/C20H24N2O4/c1-3-4-12-26-14-19(23)21-15-8-7-9-16(13-15)22-20(24)17-10-5-6-11-18(17)25-2/h5-11,13H,3-4,12,14H2,1-2H3,(H,21,23)(H,22,24)
• InChIKey: OXZXUNMIDUBDJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-butoxyacetamido)phenyl]-2-methoxybenzamide
• IUPAC Traditional name: N-[3-(2-butoxyacetamido)phenyl]-2-methoxybenzamide
• Synonyms: N-{3-[(butoxyacetyl)amino]phenyl}-2-methoxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.610207
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.2949471
• LogD (pH = 7.4): 3.2949448
• Log P: 3.2949471
• Molar Refractivity: 103.2447 cm^3
• Polarizability: 38.395985 Å^3
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.04
• LOG S: -4.4
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 9