2-methyl-N-[2-(4-methylmorpholin-2-yl)ethyl]-5-(propan-2-yl)furan-3-carboxamide

• ChemBase ID: 866027
• Molecular Formular: C16H26N2O3
• Molecular Mass: 294.38924
• Monoisotopic Mass: 294.1943427
• SMILES: c1(cc(oc1C)C(C)C)C(=O)NCCC1OCCN(C1)C
• Canonical SMILES: CN1CCOC(C1)CCNC(=O)c1cc(oc1C)C(C)C
• InChI: InChI=1S/C16H26N2O3/c1-11(2)15-9-14(12(3)21-15)16(19)17-6-5-13-10-18(4)7-8-20-13/h9,11,13H,5-8,10H2,1-4H3,(H,17,19)
• InChIKey: XKBMDQKISRXPTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-N-[2-(4-methylmorpholin-2-yl)ethyl]-5-(propan-2-yl)furan-3-carboxamide
• IUPAC Traditional name: 5-isopropyl-2-methyl-N-[2-(4-methylmorpholin-2-yl)ethyl]furan-3-carboxamide
• Synonyms: 5-isopropyl-2-methyl-N-[2-(4-methylmorpholin-2-yl)ethyl]-3-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.567401
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.29960614
• LogD (pH = 7.4): 1.185076
• Log P: 1.3942964
• Molar Refractivity: 83.4707 cm^3
• Polarizability: 31.636703 Å^3
• Polar Surface Area: 54.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.9
• LOG S: -2.97
• Polar Surface Area: 54.71 Å^2
• Rotatable Bonds: 5