[2-(4-morpholin-4-ylanilino)-2-oxoethyl] furan-2-carboxylate

C17H18N2O5 — CID 2631686

IUPAC[2-(4-morpholin-4-ylanilino)-2-oxoethyl] furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H18N2O5/c20-16(12-24-17(21)15-2-1-9-23-15)18-13-3-5-14(6-4-13)19-7-10-22-11-8-19/h1-6,9H,7-8,10-12H2,(H,18,20)
InChIKeyXGLBXZGFILDLNR-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.91
Rot. Bonds5

About [2-(4-morpholin-4-ylanilino)-2-oxoethyl] furan-2-carboxylate

[2-(4-morpholin-4-ylanilino)-2-oxoethyl] furan-2-carboxylate (PubChem CID 2631686) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] furan-2-carboxylate
PubChem CID2631686
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H18N2O5/c20-16(12-24-17(21)15-2-1-9-23-15)18-13-3-5-14(6-4-13)19-7-10-22-11-8-19/h1-6,9H,7-8,10-12H2,(H,18,20)
InChIKeyXGLBXZGFILDLNR-UHFFFAOYSA-N
XLogP1.91
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze [2-(4-morpholin-4-ylanilino)-2-oxoethyl] furan-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] furan-2-carboxylate
CID 2391025
(2-anilino-2-oxoethyl) furan-2-carboxylate
CID 2352919
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-methylfuran-2-carboxylate
CID 18099034
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-aminobenzoate
CID 7781225
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] furan-2-carboxylate
CID 2715180
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 17419831
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2121133
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 2511135
[2-oxo-2-(4-sulfamoylanilino)ethyl] furan-2-carboxylate
CID 2389466
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate
CID 7603952
cis-[2-(4-morpholin-4-ylanilino)-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 7952589
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 7969375

Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] furan-2-carboxylate (CID 2631686) is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] furan-2-carboxylate is O=C(COC(=O)c1ccco1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] furan-2-carboxylate?
The InChIKey is XGLBXZGFILDLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c20-16(12-24-17(21)15-2-1-9-23-15)18-13-3-5-14(6-4-13)19-7-10-22-11-8-19/h1-6,9H,7-8,10-12H2,(H,18,20).
What are the key properties of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] furan-2-carboxylate?
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] furan-2-carboxylate has a molecular weight of 330.34 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] furan-2-carboxylate is sourced from PubChem (CID 2631686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).