[2-oxo-2-(1-phenylethylamino)ethyl] 2-anilinobenzoate

C23H22N2O3 — CID 5186521

IUPAC[2-oxo-2-(1-phenylethylamino)ethyl] 2-anilinobenzoate
SMILESCC(NC(=O)COC(=O)c1ccccc1Nc1ccccc1)c1ccccc1
InChIInChI=1S/C23H22N2O3/c1-17(18-10-4-2-5-11-18)24-22(26)16-28-23(27)20-14-8-9-15-21(20)25-19-12-6-3-7-13-19/h2-15,17,25H,16H2,1H3,(H,24,26)
InChIKeyXVCRVBNDLGOWSW-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.46
Rot. Bonds7

About [2-oxo-2-(1-phenylethylamino)ethyl] 2-anilinobenzoate

[2-oxo-2-(1-phenylethylamino)ethyl] 2-anilinobenzoate (PubChem CID 5186521) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is [2-oxo-2-(1-phenylethylamino)ethyl] 2-anilinobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(1-phenylethylamino)ethyl] 2-anilinobenzoate
PubChem CID5186521
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name[2-oxo-2-(1-phenylethylamino)ethyl] 2-anilinobenzoate
SMILESCC(NC(=O)COC(=O)c1ccccc1Nc1ccccc1)c1ccccc1
InChIInChI=1S/C23H22N2O3/c1-17(18-10-4-2-5-11-18)24-22(26)16-28-23(27)20-14-8-9-15-21(20)25-19-12-6-3-7-13-19/h2-15,17,25H,16H2,1H3,(H,24,26)
InChIKeyXVCRVBNDLGOWSW-UHFFFAOYSA-N
XLogP4.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-(1-phenylethylamino)ethyl] 2-anilinobenzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 2-anilinobenzoate?
The IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 2-anilinobenzoate (CID 5186521) is [2-oxo-2-(1-phenylethylamino)ethyl] 2-anilinobenzoate.
What is the SMILES notation for [2-oxo-2-(1-phenylethylamino)ethyl] 2-anilinobenzoate?
The canonical SMILES for [2-oxo-2-(1-phenylethylamino)ethyl] 2-anilinobenzoate is CC(NC(=O)COC(=O)c1ccccc1Nc1ccccc1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(1-phenylethylamino)ethyl] 2-anilinobenzoate?
The InChIKey is XVCRVBNDLGOWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-17(18-10-4-2-5-11-18)24-22(26)16-28-23(27)20-14-8-9-15-21(20)25-19-12-6-3-7-13-19/h2-15,17,25H,16H2,1H3,(H,24,26).
What are the key properties of [2-oxo-2-(1-phenylethylamino)ethyl] 2-anilinobenzoate?
[2-oxo-2-(1-phenylethylamino)ethyl] 2-anilinobenzoate has a molecular weight of 374.44 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1-phenylethylamino)ethyl] 2-anilinobenzoate is sourced from PubChem (CID 5186521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).