N-[(4-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-5-carboxamide

• ChemBase ID: 750959
• Molecular Formular: C23H25NO4
• Molecular Mass: 379.4489
• Monoisotopic Mass: 379.17835829
• SMILES: N(C(=O)c1cc2cc(oc2cc1)C)(Cc1ccc(cc1)OC)CC1OCCC1
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)c1ccc2c(c1)cc(o2)C)CC1CCCO1
• InChI: InChI=1S/C23H25NO4/c1-16-12-19-13-18(7-10-22(19)28-16)23(25)24(15-21-4-3-11-27-21)14-17-5-8-20(26-2)9-6-17/h5-10,12-13,21H,3-4,11,14-15H2,1-2H3
• InChIKey: RERGHSMOOCSLMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-5-carboxamide
• IUPAC Traditional name: N-[(4-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-5-carboxamide
• Synonyms: N-(4-methoxybenzyl)-2-methyl-N-(tetrahydro-2-furanylmethyl)-1-benzofuran-5-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.6153138
• LogD (pH = 7.4): 3.6153138
• Log P: 3.6153138
• Molar Refractivity: 108.2511 cm^3
• Polarizability: 42.422836 Å^3
• Polar Surface Area: 51.91 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.1
• LOG S: -4.61
• Polar Surface Area: 51.91 Å^2
• Rotatable Bonds: 6