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

• ChemBase ID: 346994
• Molecular Formular: C19H25NO4
• Molecular Mass: 331.4061
• Monoisotopic Mass: 331.17835829
• SMILES: c1(oc2c(c1C)ccc(c2)OC)C(=O)N(CCCC1OCCC1)C
• Canonical SMILES: COc1ccc2c(c1)oc(c2C)C(=O)N(CCCC1CCCO1)C
• InChI: InChI=1S/C19H25NO4/c1-13-16-9-8-15(22-3)12-17(16)24-18(13)19(21)20(2)10-4-6-14-7-5-11-23-14/h8-9,12,14H,4-7,10-11H2,1-3H3
• InChIKey: YNNOFTIAKFBYBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7020242
• LogD (pH = 7.4): 2.7020242
• Log P: 2.7020242
• Molar Refractivity: 92.9175 cm^3
• Polarizability: 36.520138 Å^3
• Polar Surface Area: 51.91 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.59
• LOG S: -2.98
• Polar Surface Area: 51.91 Å^2
• Rotatable Bonds: 6