N,3,6,7-tetramethyl-N-[3-(oxolan-2-yl)propyl]-1-benzofuran-2-carboxamide

• ChemBase ID: 833813
• Molecular Formular: C20H27NO3
• Molecular Mass: 329.43328
• Monoisotopic Mass: 329.19909373
• SMILES: c1(oc2c(c1C)ccc(c2C)C)C(=O)N(CCCC1OCCC1)C
• Canonical SMILES: CN(C(=O)c1oc2c(c1C)ccc(c2C)C)CCCC1CCCO1
• InChI: InChI=1S/C20H27NO3/c1-13-9-10-17-15(3)19(24-18(17)14(13)2)20(22)21(4)11-5-7-16-8-6-12-23-16/h9-10,16H,5-8,11-12H2,1-4H3
• InChIKey: FYYWHUBLOLLPQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,3,6,7-tetramethyl-N-[3-(oxolan-2-yl)propyl]-1-benzofuran-2-carboxamide
• IUPAC Traditional name: N,3,6,7-tetramethyl-N-[3-(oxolan-2-yl)propyl]-1-benzofuran-2-carboxamide
• Synonyms: N,3,6,7-tetramethyl-N-[3-(tetrahydro-2-furanyl)propyl]-1-benzofuran-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.8865383
• LogD (pH = 7.4): 3.8865383
• Log P: 3.8865383
• Molar Refractivity: 96.5367 cm^3
• Polarizability: 37.534668 Å^3
• Polar Surface Area: 42.68 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: 2.66
• LOG S: -3.87
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 5