2-benzyl-4-(5-methoxyfuran-2-carbonyl)morpholine

• ChemBase ID: 503884
• Molecular Formular: C17H19NO4
• Molecular Mass: 301.33706
• Monoisotopic Mass: 301.13140809
• SMILES: c1(C(=O)N2CC(OCC2)Cc2ccccc2)oc(cc1)OC
• Canonical SMILES: COc1ccc(o1)C(=O)N1CCOC(C1)Cc1ccccc1
• InChI: InChI=1S/C17H19NO4/c1-20-16-8-7-15(22-16)17(19)18-9-10-21-14(12-18)11-13-5-3-2-4-6-13/h2-8,14H,9-12H2,1H3
• InChIKey: DVWGEHHWZXOSGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzyl-4-(5-methoxyfuran-2-carbonyl)morpholine
• IUPAC Traditional name: 2-benzyl-4-(5-methoxyfuran-2-carbonyl)morpholine
• Synonyms: 2-benzyl-4-(5-methoxy-2-furoyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1175056
• LogD (pH = 7.4): 2.1175056
• Log P: 2.1175056
• Molar Refractivity: 81.1495 cm^3
• Polarizability: 31.339382 Å^3
• Polar Surface Area: 51.91 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.25
• LOG S: -3.42
• Polar Surface Area: 51.91 Å^2
• Rotatable Bonds: 3