[2-oxo-2-(1-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate

C20H20ClNO4 — CID 3567202

IUPAC[2-oxo-2-(1-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate
SMILESCC(NC(=O)COC(=O)CCC(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C20H20ClNO4/c1-14(15-5-3-2-4-6-15)22-19(24)13-26-20(25)12-11-18(23)16-7-9-17(21)10-8-16/h2-10,14H,11-13H2,1H3,(H,22,24)
InChIKeyDEJPEARLAZMDIN-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.72
Rot. Bonds8

About [2-oxo-2-(1-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate

[2-oxo-2-(1-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate (PubChem CID 3567202) has the molecular formula C20H20ClNO4 and a molecular weight of 373.84 g/mol. Its IUPAC name is [2-oxo-2-(1-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-oxo-2-(1-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate
PubChem CID3567202
Molecular FormulaC20H20ClNO4
Molecular Weight373.84 g/mol
Exact Mass373.11
IUPAC Name[2-oxo-2-(1-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate
SMILESCC(NC(=O)COC(=O)CCC(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C20H20ClNO4/c1-14(15-5-3-2-4-6-15)22-19(24)13-26-20(25)12-11-18(23)16-7-9-17(21)10-8-16/h2-10,14H,11-13H2,1H3,(H,22,24)
InChIKeyDEJPEARLAZMDIN-UHFFFAOYSA-N
XLogP3.72
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate?
The IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate (CID 3567202) is [2-oxo-2-(1-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate.
What is the SMILES notation for [2-oxo-2-(1-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate?
The canonical SMILES for [2-oxo-2-(1-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate is CC(NC(=O)COC(=O)CCC(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(1-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate?
The InChIKey is DEJPEARLAZMDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO4/c1-14(15-5-3-2-4-6-15)22-19(24)13-26-20(25)12-11-18(23)16-7-9-17(21)10-8-16/h2-10,14H,11-13H2,1H3,(H,22,24).
What are the key properties of [2-oxo-2-(1-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate?
[2-oxo-2-(1-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate has a molecular weight of 373.84 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate is sourced from PubChem (CID 3567202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).