N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)-2-phenylfuran-3-carboxamide

• ChemBase ID: 572023
• Molecular Formular: C18H22N2O2
• Molecular Mass: 298.37948
• Monoisotopic Mass: 298.16812795
• SMILES: c1(C(=O)N(C2CN(CC2)C)C)c(oc(c1)C)c1ccccc1
• Canonical SMILES: CN1CCC(C1)N(C(=O)c1cc(oc1c1ccccc1)C)C
• InChI: InChI=1S/C18H22N2O2/c1-13-11-16(17(22-13)14-7-5-4-6-8-14)18(21)20(3)15-9-10-19(2)12-15/h4-8,11,15H,9-10,12H2,1-3H3
• InChIKey: QWQNMZBRJMDRTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)-2-phenylfuran-3-carboxamide
• IUPAC Traditional name: N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)-2-phenylfuran-3-carboxamide
• Synonyms: N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)-2-phenyl-3-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.5183434
• LogD (pH = 7.4): 1.2555517
• Log P: 2.145118
• Molar Refractivity: 88.1923 cm^3
• Polarizability: 34.610207 Å^3
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.51
• LOG S: -3.52
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 3