[2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-phenylphenyl)acetate

C24H23NO3 — CID 4567678

IUPAC[2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-phenylphenyl)acetate
SMILESCC(NC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H23NO3/c1-18(20-8-4-2-5-9-20)25-23(26)17-28-24(27)16-19-12-14-22(15-13-19)21-10-6-3-7-11-21/h2-15,18H,16-17H2,1H3,(H,25,26)
InChIKeyFTEBGPHHVXIKPY-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.32
Rot. Bonds7

About [2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-phenylphenyl)acetate

[2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-phenylphenyl)acetate (PubChem CID 4567678) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is [2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-phenylphenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-phenylphenyl)acetate
PubChem CID4567678
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name[2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-phenylphenyl)acetate
SMILESCC(NC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H23NO3/c1-18(20-8-4-2-5-9-20)25-23(26)17-28-24(27)16-19-12-14-22(15-13-19)21-10-6-3-7-11-21/h2-15,18H,16-17H2,1H3,(H,25,26)
InChIKeyFTEBGPHHVXIKPY-UHFFFAOYSA-N
XLogP4.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-phenylphenyl)acetate?
The IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-phenylphenyl)acetate (CID 4567678) is [2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-phenylphenyl)acetate.
What is the SMILES notation for [2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-phenylphenyl)acetate?
The canonical SMILES for [2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-phenylphenyl)acetate is CC(NC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-phenylphenyl)acetate?
The InChIKey is FTEBGPHHVXIKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-18(20-8-4-2-5-9-20)25-23(26)17-28-24(27)16-19-12-14-22(15-13-19)21-10-6-3-7-11-21/h2-15,18H,16-17H2,1H3,(H,25,26).
What are the key properties of [2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-phenylphenyl)acetate?
[2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-phenylphenyl)acetate has a molecular weight of 373.45 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-phenylphenyl)acetate is sourced from PubChem (CID 4567678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).