[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-ethoxyacetate

C16H22N2O5 — CID 2564028

IUPAC[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-ethoxyacetate
SMILESCCOCC(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H22N2O5/c1-2-21-12-16(20)23-11-15(19)17-13-3-5-14(6-4-13)18-7-9-22-10-8-18/h3-6H,2,7-12H2,1H3,(H,17,19)
InChIKeyIHFGPJAXMDLOLA-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.04
Rot. Bonds7

About [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-ethoxyacetate

[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-ethoxyacetate (PubChem CID 2564028) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-ethoxyacetate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-ethoxyacetate
PubChem CID2564028
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-ethoxyacetate
SMILESCCOCC(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H22N2O5/c1-2-21-12-16(20)23-11-15(19)17-13-3-5-14(6-4-13)18-7-9-22-10-8-18/h3-6H,2,7-12H2,1H3,(H,17,19)
InChIKeyIHFGPJAXMDLOLA-UHFFFAOYSA-N
XLogP1.04
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-morpholin-4-ylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 2511135
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 7990034
ethyl 2,5-dimethyl-1-[2-[2-(4-morpholin-4-ylanilino)-2-oxoethoxy]-2-oxoethyl]pyrrole-3-carboxylate
CID 46561306
cis-[2-(4-morpholin-4-ylanilino)-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 7952589
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 2523260
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7153111
2-ethoxy-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 60668633
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-aminobenzoate
CID 7781225
methyl 4-(4-morpholin-4-ylanilino)-4-oxobutanoate
CID 51985182
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-methylfuran-2-carboxylate
CID 18099034
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 7969375
2-(ethylamino)-N-(4-morpholin-4-ylphenyl)acetamide;dihydrochloride
CID 20847919

Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-ethoxyacetate?
The IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-ethoxyacetate (CID 2564028) is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-ethoxyacetate.
What is the SMILES notation for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-ethoxyacetate?
The canonical SMILES for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-ethoxyacetate is CCOCC(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-ethoxyacetate?
The InChIKey is IHFGPJAXMDLOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-2-21-12-16(20)23-11-15(19)17-13-3-5-14(6-4-13)18-7-9-22-10-8-18/h3-6H,2,7-12H2,1H3,(H,17,19).
What are the key properties of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-ethoxyacetate?
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-ethoxyacetate has a molecular weight of 322.36 g/mol, XLogP of 1.04, 7 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] 2-ethoxyacetate is sourced from PubChem (CID 2564028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).