3-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)furan-2-carboxamide

• ChemBase ID: 548199
• Molecular Formular: C20H26N2O2
• Molecular Mass: 326.43264
• Monoisotopic Mass: 326.19942808
• SMILES: C(=O)(c1c(cco1)C)N(CCc1ccccc1)C1CCN(CC1)C
• Canonical SMILES: CN1CCC(CC1)N(C(=O)c1occc1C)CCc1ccccc1
• InChI: InChI=1S/C20H26N2O2/c1-16-11-15-24-19(16)20(23)22(18-9-12-21(2)13-10-18)14-8-17-6-4-3-5-7-17/h3-7,11,15,18H,8-10,12-14H2,1-2H3
• InChIKey: ZJDGFUHFGZDLKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)furan-2-carboxamide
• IUPAC Traditional name: 3-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)furan-2-carboxamide
• Synonyms: 3-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)-2-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.113887735
• LogD (pH = 7.4): 1.8812585
• Log P: 2.8848467
• Molar Refractivity: 97.1806 cm^3
• Polarizability: 36.920044 Å^3
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.44
• LOG S: -3.66
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 5