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

C24H21NO4 — CID 3470481

IUPAC[2-oxo-2-(1-phenylethylamino)ethyl] 2-benzoylbenzoate
SMILESCC(NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21NO4/c1-17(18-10-4-2-5-11-18)25-22(26)16-29-24(28)21-15-9-8-14-20(21)23(27)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3,(H,25,26)
InChIKeyALXGMDXYHSRRFQ-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.95
Rot. Bonds7

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

[2-oxo-2-(1-phenylethylamino)ethyl] 2-benzoylbenzoate (PubChem CID 3470481) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is [2-oxo-2-(1-phenylethylamino)ethyl] 2-benzoylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(1-phenylethylamino)ethyl] 2-benzoylbenzoate
PubChem CID3470481
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name[2-oxo-2-(1-phenylethylamino)ethyl] 2-benzoylbenzoate
SMILESCC(NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21NO4/c1-17(18-10-4-2-5-11-18)25-22(26)16-29-24(28)21-15-9-8-14-20(21)23(27)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3,(H,25,26)
InChIKeyALXGMDXYHSRRFQ-UHFFFAOYSA-N
XLogP3.95
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.95
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] 2-benzoylbenzoate?
The IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 2-benzoylbenzoate (CID 3470481) is [2-oxo-2-(1-phenylethylamino)ethyl] 2-benzoylbenzoate.
What is the SMILES notation for [2-oxo-2-(1-phenylethylamino)ethyl] 2-benzoylbenzoate?
The canonical SMILES for [2-oxo-2-(1-phenylethylamino)ethyl] 2-benzoylbenzoate is CC(NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(1-phenylethylamino)ethyl] 2-benzoylbenzoate?
The InChIKey is ALXGMDXYHSRRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c1-17(18-10-4-2-5-11-18)25-22(26)16-29-24(28)21-15-9-8-14-20(21)23(27)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3,(H,25,26).
What are the key properties of [2-oxo-2-(1-phenylethylamino)ethyl] 2-benzoylbenzoate?
[2-oxo-2-(1-phenylethylamino)ethyl] 2-benzoylbenzoate has a molecular weight of 387.44 g/mol, XLogP of 3.95, 7 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] 2-benzoylbenzoate is sourced from PubChem (CID 3470481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).