N-[(2,4-dimethoxyphenyl)methyl]-5-(methoxymethyl)furan-2-carboxamide

• ChemBase ID: 403524
• Molecular Formular: C16H19NO5
• Molecular Mass: 305.32576
• Monoisotopic Mass: 305.12632271
• SMILES: c1(oc(cc1)COC)C(=O)NCc1c(cc(cc1)OC)OC
• Canonical SMILES: COCc1ccc(o1)C(=O)NCc1ccc(cc1OC)OC
• InChI: InChI=1S/C16H19NO5/c1-19-10-13-6-7-14(22-13)16(18)17-9-11-4-5-12(20-2)8-15(11)21-3/h4-8H,9-10H2,1-3H3,(H,17,18)
• InChIKey: VEFMERXBLLRQIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2,4-dimethoxyphenyl)methyl]-5-(methoxymethyl)furan-2-carboxamide
• IUPAC Traditional name: N-[(2,4-dimethoxyphenyl)methyl]-5-(methoxymethyl)furan-2-carboxamide
• Synonyms: N-(2,4-dimethoxybenzyl)-5-(methoxymethyl)-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.812794
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3127173
• LogD (pH = 7.4): 1.3127171
• Log P: 1.3127173
• Molar Refractivity: 81.4076 cm^3
• Polarizability: 30.918741 Å^3
• Polar Surface Area: 69.93 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.65
• LOG S: -2.84
• Polar Surface Area: 69.93 Å^2
• Rotatable Bonds: 7