[2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate

C20H20ClNO4 — CID 2436445

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate
SMILESO=C(COC(=O)CCC(=O)c1ccc(Cl)cc1)NCCc1ccccc1
InChIInChI=1S/C20H20ClNO4/c21-17-8-6-16(7-9-17)18(23)10-11-20(25)26-14-19(24)22-13-12-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,22,24)
InChIKeyOOLLSITXOAEXAI-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.20
Rot. Bonds9

About [2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate

[2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate (PubChem CID 2436445) has the molecular formula C20H20ClNO4 and a molecular weight of 373.84 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate
PubChem CID2436445
Molecular FormulaC20H20ClNO4
Molecular Weight373.84 g/mol
Exact Mass373.11
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate
SMILESO=C(COC(=O)CCC(=O)c1ccc(Cl)cc1)NCCc1ccccc1
InChIInChI=1S/C20H20ClNO4/c21-17-8-6-16(7-9-17)18(23)10-11-20(25)26-14-19(24)22-13-12-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,22,24)
InChIKeyOOLLSITXOAEXAI-UHFFFAOYSA-N
XLogP3.20
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate with MolForge

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Related Compounds

2-(2-Chlorophenyl)-2-oxoethyl (benzoylamino)acetate
CID 1615618
[2-(Cyclohexylmethylamino)-2-oxoethyl] 4-chlorobenzoate
CID 2352738
[2-(4-Methylpiperidin-1-yl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2355125
[2-(Cyclohexylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2417977
[1-(Cyclohexylmethylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 4782886
2-(4-Chlorophenyl)-2-oxoethyl 2-(acetylamino)acetate
CID 1615977
2-(2-chlorophenyl)-2-oxoethyl N-(phenylacetyl)glycinate
CID 1619325
[2-(Tert-butylamino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2416098
[2-(2-Methylpropylamino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2431382
[2-(Butylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2432456
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 2435045
[2-Oxo-2-(oxolan-2-ylmethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2999601

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate (CID 2436445) is [2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate is O=C(COC(=O)CCC(=O)c1ccc(Cl)cc1)NCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate?
The InChIKey is OOLLSITXOAEXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO4/c21-17-8-6-16(7-9-17)18(23)10-11-20(25)26-14-19(24)22-13-12-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,22,24).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate?
[2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate has a molecular weight of 373.84 g/mol, XLogP of 3.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate is sourced from PubChem (CID 2436445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).