(2,5-dimethylfuran-3-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid

C16H26N2O6 — CID 71786001

About (2,5-dimethylfuran-3-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid

(2,5-dimethylfuran-3-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid (PubChem CID 71786001) has the molecular formula C16H26N2O6 and a molecular weight of 342.39 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid.

Molecular Properties

• Compound Name: (2,5-dimethylfuran-3-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid
• PubChem CID: 71786001
• Molecular Formula: C16H26N2O6
• Molecular Weight: 342.39 g/mol
• Exact Mass: 342.18
• IUPAC Name: (2,5-dimethylfuran-3-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid
• SMILES: Cc1cc(C(=O)N2CCOCC2CN(C)CCO)c(C)o1.O=CO
• InChI: InChI=1S/C15H24N2O4.CH2O2/c1-11-8-14(12(2)21-11)15(19)17-5-7-20-10-13(17)9-16(3)4-6-18;2-1-3/h8,13,18H,4-7,9-10H2,1-3H3;1H,(H,2,3)
• InChIKey: JMZIPBXIGCNERN-UHFFFAOYSA-N
• XLogP: 0.36
• TPSA: 103.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.39
LogP ≤ 5	0.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid?

The IUPAC name of (2,5-dimethylfuran-3-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid (CID 71786001) is (2,5-dimethylfuran-3-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid.

What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid?

The canonical SMILES for (2,5-dimethylfuran-3-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid is Cc1cc(C(=O)N2CCOCC2CN(C)CCO)c(C)o1.O=CO.

What is the InChIKey of (2,5-dimethylfuran-3-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid?

The InChIKey is JMZIPBXIGCNERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4.CH2O2/c1-11-8-14(12(2)21-11)15(19)17-5-7-20-10-13(17)9-16(3)4-6-18;2-1-3/h8,13,18H,4-7,9-10H2,1-3H3;1H,(H,2,3).

What are the key properties of (2,5-dimethylfuran-3-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid?

(2,5-dimethylfuran-3-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid has a molecular weight of 342.39 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dimethylfuran-3-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid is sourced from PubChem (CID 71786001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).