N-{4-[3-(2-ethyl-1H-imidazol-1-yl)propanamido]phenyl}-5-methylfuran-3-carboxamide

• ChemBase ID: 605548
• Molecular Formular: C20H22N4O3
• Molecular Mass: 366.41368
• Monoisotopic Mass: 366.16919058
• SMILES: c1(C(=O)Nc2ccc(NC(=O)CCn3c(ncc3)CC)cc2)cc(oc1)C
• Canonical SMILES: CCc1nccn1CCC(=O)Nc1ccc(cc1)NC(=O)c1coc(c1)C
• InChI: InChI=1S/C20H22N4O3/c1-3-18-21-9-11-24(18)10-8-19(25)22-16-4-6-17(7-5-16)23-20(26)15-12-14(2)27-13-15/h4-7,9,11-13H,3,8,10H2,1-2H3,(H,22,25)(H,23,26)
• InChIKey: RJJZDLXSKJIMSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4-[3-(2-ethyl-1H-imidazol-1-yl)propanamido]phenyl}-5-methylfuran-3-carboxamide
• IUPAC Traditional name: N-{4-[3-(2-ethylimidazol-1-yl)propanamido]phenyl}-5-methylfuran-3-carboxamide
• Synonyms: N-(4-{[3-(2-ethyl-1H-imidazol-1-yl)propanoyl]amino}phenyl)-5-methyl-3-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.389795
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.4890871
• LogD (pH = 7.4): 2.286098
• Log P: 2.483042
• Molar Refractivity: 105.235 cm^3
• Polarizability: 38.323174 Å^3
• Polar Surface Area: 89.16 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.03
• LOG S: -3.61
• Polar Surface Area: 89.16 Å^2
• Rotatable Bonds: 7