N-[2-(furan-2-ylmethoxy)phenyl]-2-methylpyrrolidine-1-carboxamide

• ChemBase ID: 507122
• Molecular Formular: C17H20N2O3
• Molecular Mass: 300.3523
• Monoisotopic Mass: 300.14739251
• SMILES: C(=O)(N1C(CCC1)C)Nc1c(OCc2occc2)cccc1
• Canonical SMILES: CC1CCCN1C(=O)Nc1ccccc1OCc1ccco1
• InChI: InChI=1S/C17H20N2O3/c1-13-6-4-10-19(13)17(20)18-15-8-2-3-9-16(15)22-12-14-7-5-11-21-14/h2-3,5,7-9,11,13H,4,6,10,12H2,1H3,(H,18,20)
• InChIKey: YNRGZBCGTYWKHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(furan-2-ylmethoxy)phenyl]-2-methylpyrrolidine-1-carboxamide
• IUPAC Traditional name: N-[2-(furan-2-ylmethoxy)phenyl]-2-methylpyrrolidine-1-carboxamide
• Synonyms: N-[2-(2-furylmethoxy)phenyl]-2-methylpyrrolidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.850951
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7741835
• LogD (pH = 7.4): 2.7741692
• Log P: 2.7741838
• Molar Refractivity: 84.8176 cm^3
• Polarizability: 31.960712 Å^3
• Polar Surface Area: 54.71 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.55
• LOG S: -3.57
• Polar Surface Area: 54.71 Å^2
• Rotatable Bonds: 4