4-[(diethylamino)methyl]-5-ethyl-N-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}furan-2-carboxamide

• ChemBase ID: 555584
• Molecular Formular: C19H30N4O3
• Molecular Mass: 362.4665
• Monoisotopic Mass: 362.23179084
• SMILES: c1(cc(oc1CC)C(=O)NCc1n(cnc1)CCOC)CN(CC)CC
• Canonical SMILES: COCCn1cncc1CNC(=O)c1cc(c(o1)CC)CN(CC)CC
• InChI: InChI=1S/C19H30N4O3/c1-5-17-15(13-22(6-2)7-3)10-18(26-17)19(24)21-12-16-11-20-14-23(16)8-9-25-4/h10-11,14H,5-9,12-13H2,1-4H3,(H,21,24)
• InChIKey: XEGMBPIAZQCDIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(diethylamino)methyl]-5-ethyl-N-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}furan-2-carboxamide
• IUPAC Traditional name: 4-[(diethylamino)methyl]-5-ethyl-N-{[3-(2-methoxyethyl)imidazol-4-yl]methyl}furan-2-carboxamide
• Synonyms: 4-[(diethylamino)methyl]-5-ethyl-N-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.218598
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.9223081
• LogD (pH = 7.4): 0.29235986
• Log P: 1.18761
• Molar Refractivity: 103.5227 cm^3
• Polarizability: 38.76949 Å^3
• Polar Surface Area: 72.53 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.51
• LOG S: -3.13
• Polar Surface Area: 72.53 Å^2
• Rotatable Bonds: 11