5-(3-methoxyphenyl)-N-(morpholin-2-ylmethyl)furan-2-carboxamide

• ChemBase ID: 568101
• Molecular Formular: C17H20N2O4
• Molecular Mass: 316.3517
• Monoisotopic Mass: 316.14230713
• SMILES: o1c(C(=O)NCC2OCCNC2)ccc1c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)c1ccc(o1)C(=O)NCC1CNCCO1
• InChI: InChI=1S/C17H20N2O4/c1-21-13-4-2-3-12(9-13)15-5-6-16(23-15)17(20)19-11-14-10-18-7-8-22-14/h2-6,9,14,18H,7-8,10-11H2,1H3,(H,19,20)
• InChIKey: TYDVCBOLQQLFSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(3-methoxyphenyl)-N-(morpholin-2-ylmethyl)furan-2-carboxamide
• IUPAC Traditional name: 5-(3-methoxyphenyl)-N-(morpholin-2-ylmethyl)furan-2-carboxamide
• Synonyms: 5-(3-methoxyphenyl)-N-(morpholin-2-ylmethyl)-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.507062
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.707141
• LogD (pH = 7.4): 0.0020380053
• Log P: 0.99422723
• Molar Refractivity: 85.37 cm^3
• Polarizability: 34.20021 Å^3
• Polar Surface Area: 72.73 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.69
• LOG S: -2.1
• Polar Surface Area: 72.73 Å^2
• Rotatable Bonds: 5