5-(methoxymethyl)-N-{[4-(2-methylpropoxy)phenyl]methyl}-N-(pyridin-4-ylmethyl)furan-2-carboxamide

• ChemBase ID: 392119
• Molecular Formular: C24H28N2O4
• Molecular Mass: 408.49012
• Monoisotopic Mass: 408.20490739
• SMILES: c1(C(=O)N(Cc2ccc(OCC(C)C)cc2)Cc2ccncc2)oc(cc1)COC
• Canonical SMILES: COCc1ccc(o1)C(=O)N(Cc1ccncc1)Cc1ccc(cc1)OCC(C)C
• InChI: InChI=1S/C24H28N2O4/c1-18(2)16-29-21-6-4-19(5-7-21)14-26(15-20-10-12-25-13-11-20)24(27)23-9-8-22(30-23)17-28-3/h4-13,18H,14-17H2,1-3H3
• InChIKey: DKZBQJBOUWXXJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(methoxymethyl)-N-{[4-(2-methylpropoxy)phenyl]methyl}-N-(pyridin-4-ylmethyl)furan-2-carboxamide
• IUPAC Traditional name: 5-(methoxymethyl)-N-{[4-(2-methylpropoxy)phenyl]methyl}-N-(pyridin-4-ylmethyl)furan-2-carboxamide
• Synonyms: N-(4-isobutoxybenzyl)-5-(methoxymethyl)-N-(4-pyridinylmethyl)-2-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.3355715
• LogD (pH = 7.4): 3.443549
• Log P: 3.4451685
• Molar Refractivity: 116.041 cm^3
• Polarizability: 44.41143 Å^3
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.77
• LOG S: -4.99
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 8