[2-oxo-2-(2-phenylanilino)ethyl] 2-phenylbutanoate

C24H23NO3 — CID 4014963

IUPAC[2-oxo-2-(2-phenylanilino)ethyl] 2-phenylbutanoate
SMILESCCC(C(=O)OCC(=O)Nc1ccccc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO3/c1-2-20(18-11-5-3-6-12-18)24(27)28-17-23(26)25-22-16-10-9-15-21(22)19-13-7-4-8-14-19/h3-16,20H,2,17H2,1H3,(H,25,26)
InChIKeySRZGODNHWWIJAB-UHFFFAOYSA-N
MW373.45 g/mol
LogP5.03
Rot. Bonds7

About [2-oxo-2-(2-phenylanilino)ethyl] 2-phenylbutanoate

[2-oxo-2-(2-phenylanilino)ethyl] 2-phenylbutanoate (PubChem CID 4014963) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylanilino)ethyl] 2-phenylbutanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylanilino)ethyl] 2-phenylbutanoate
PubChem CID4014963
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name[2-oxo-2-(2-phenylanilino)ethyl] 2-phenylbutanoate
SMILESCCC(C(=O)OCC(=O)Nc1ccccc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO3/c1-2-20(18-11-5-3-6-12-18)24(27)28-17-23(26)25-22-16-10-9-15-21(22)19-13-7-4-8-14-19/h3-16,20H,2,17H2,1H3,(H,25,26)
InChIKeySRZGODNHWWIJAB-UHFFFAOYSA-N
XLogP5.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylanilino)ethyl] 2-phenylbutanoate?
The IUPAC name of [2-oxo-2-(2-phenylanilino)ethyl] 2-phenylbutanoate (CID 4014963) is [2-oxo-2-(2-phenylanilino)ethyl] 2-phenylbutanoate.
What is the SMILES notation for [2-oxo-2-(2-phenylanilino)ethyl] 2-phenylbutanoate?
The canonical SMILES for [2-oxo-2-(2-phenylanilino)ethyl] 2-phenylbutanoate is CCC(C(=O)OCC(=O)Nc1ccccc1-c1ccccc1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylanilino)ethyl] 2-phenylbutanoate?
The InChIKey is SRZGODNHWWIJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-2-20(18-11-5-3-6-12-18)24(27)28-17-23(26)25-22-16-10-9-15-21(22)19-13-7-4-8-14-19/h3-16,20H,2,17H2,1H3,(H,25,26).
What are the key properties of [2-oxo-2-(2-phenylanilino)ethyl] 2-phenylbutanoate?
[2-oxo-2-(2-phenylanilino)ethyl] 2-phenylbutanoate has a molecular weight of 373.45 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylanilino)ethyl] 2-phenylbutanoate is sourced from PubChem (CID 4014963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).