5-[(dimethylamino)methyl]-N-(furan-3-ylmethyl)-N-methylfuran-2-carboxamide

• ChemBase ID: 322843
• Molecular Formular: C14H18N2O3
• Molecular Mass: 262.30432
• Monoisotopic Mass: 262.13174245
• SMILES: c1(C(=O)N(Cc2cocc2)C)oc(cc1)CN(C)C
• Canonical SMILES: CN(Cc1ccc(o1)C(=O)N(Cc1cocc1)C)C
• InChI: InChI=1S/C14H18N2O3/c1-15(2)9-12-4-5-13(19-12)14(17)16(3)8-11-6-7-18-10-11/h4-7,10H,8-9H2,1-3H3
• InChIKey: NLCLUUMHDCZEHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(dimethylamino)methyl]-N-(furan-3-ylmethyl)-N-methylfuran-2-carboxamide
• IUPAC Traditional name: 5-[(dimethylamino)methyl]-N-(furan-3-ylmethyl)-N-methylfuran-2-carboxamide
• Synonyms: 5-[(dimethylamino)methyl]-N-(3-furylmethyl)-N-methyl-2-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.99470514
• LogD (pH = 7.4): 0.6669792
• Log P: 1.0576015
• Molar Refractivity: 72.8669 cm^3
• Polarizability: 27.240545 Å^3
• Polar Surface Area: 49.83 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.1
• LOG S: -2.05
• Polar Surface Area: 49.83 Å^2
• Rotatable Bonds: 5