4-[(diethylamino)methyl]-5-ethyl-N-methyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide

• ChemBase ID: 494720
• Molecular Formular: C19H27N3O2
• Molecular Mass: 329.43658
• Monoisotopic Mass: 329.21032712
• SMILES: c1(oc(c(c1)CN(CC)CC)CC)C(=O)N(Cc1ccncc1)C
• Canonical SMILES: CCN(Cc1cc(oc1CC)C(=O)N(Cc1ccncc1)C)CC
• InChI: InChI=1S/C19H27N3O2/c1-5-17-16(14-22(6-2)7-3)12-18(24-17)19(23)21(4)13-15-8-10-20-11-9-15/h8-12H,5-7,13-14H2,1-4H3
• InChIKey: GZQBCPHHJZPFTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(diethylamino)methyl]-5-ethyl-N-methyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide
• IUPAC Traditional name: 4-[(diethylamino)methyl]-5-ethyl-N-methyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide
• Synonyms: 4-[(diethylamino)methyl]-5-ethyl-N-methyl-N-(pyridin-4-ylmethyl)-2-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.52972484
• LogD (pH = 7.4): 1.3523922
• Log P: 2.2153819
• Molar Refractivity: 97.49 cm^3
• Polarizability: 36.741802 Å^3
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.34
• LOG S: -2.3
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 8