4-[5-(methoxymethyl)furan-2-carbonyl]-2-(3-phenylpropyl)morpholine

• ChemBase ID: 681153
• Molecular Formular: C20H25NO4
• Molecular Mass: 343.4168
• Monoisotopic Mass: 343.17835829
• SMILES: c1(C(=O)N2CC(OCC2)CCCc2ccccc2)oc(cc1)COC
• Canonical SMILES: COCc1ccc(o1)C(=O)N1CCOC(C1)CCCc1ccccc1
• InChI: InChI=1S/C20H25NO4/c1-23-15-18-10-11-19(25-18)20(22)21-12-13-24-17(14-21)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,10-11,17H,5,8-9,12-15H2,1H3
• InChIKey: DXBUKPGESAZWMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[5-(methoxymethyl)furan-2-carbonyl]-2-(3-phenylpropyl)morpholine
• IUPAC Traditional name: 4-[5-(methoxymethyl)furan-2-carbonyl]-2-(3-phenylpropyl)morpholine
• Synonyms: 4-[5-(methoxymethyl)-2-furoyl]-2-(3-phenylpropyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.870801
• LogD (pH = 7.4): 2.870801
• Log P: 2.870801
• Molar Refractivity: 96.0796 cm^3
• Polarizability: 36.7835 Å^3
• Polar Surface Area: 51.91 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.72
• LOG S: -4.22
• Polar Surface Area: 51.91 Å^2
• Rotatable Bonds: 6