2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-phenylacetamide

• ChemBase ID: 828585
• Molecular Formular: C16H19NO3
• Molecular Mass: 273.32696
• Monoisotopic Mass: 273.13649347
• SMILES: C(=O)(N(Cc1oc(cc1)C)C)C(c1ccccc1)OC
• Canonical SMILES: COC(C(=O)N(Cc1ccc(o1)C)C)c1ccccc1
• InChI: InChI=1S/C16H19NO3/c1-12-9-10-14(20-12)11-17(2)16(18)15(19-3)13-7-5-4-6-8-13/h4-10,15H,11H2,1-3H3
• InChIKey: NISMTPFHWOQTLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-phenylacetamide
• IUPAC Traditional name: 2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-phenylacetamide
• Synonyms: 2-methoxy-N-methyl-N-[(5-methyl-2-furyl)methyl]-2-phenylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1636527
• LogD (pH = 7.4): 2.1636527
• Log P: 2.1636527
• Molar Refractivity: 77.2238 cm^3
• Polarizability: 29.651575 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: 2.71
• LOG S: -3.51
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 5