[2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-acetylphenoxy)propanoate

C21H23NO5 — CID 25161846

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-acetylphenoxy)propanoate
SMILESCC(=O)c1ccc(OC(C)C(=O)OCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C21H23NO5/c1-15(23)18-8-10-19(11-9-18)27-16(2)21(25)26-14-20(24)22-13-12-17-6-4-3-5-7-17/h3-11,16H,12-14H2,1-2H3,(H,22,24)
InChIKeySZFRRSYPVYAQJN-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.56
Rot. Bonds9

About [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-acetylphenoxy)propanoate

[2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-acetylphenoxy)propanoate (PubChem CID 25161846) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-acetylphenoxy)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-acetylphenoxy)propanoate
PubChem CID25161846
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-acetylphenoxy)propanoate
SMILESCC(=O)c1ccc(OC(C)C(=O)OCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C21H23NO5/c1-15(23)18-8-10-19(11-9-18)27-16(2)21(25)26-14-20(24)22-13-12-17-6-4-3-5-7-17/h3-11,16H,12-14H2,1-2H3,(H,22,24)
InChIKeySZFRRSYPVYAQJN-UHFFFAOYSA-N
XLogP2.56
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-acetylphenoxy)propanoate 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-(2-phenylethylamino)ethyl] 2-(4-acetylphenoxy)propanoate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-acetylphenoxy)propanoate (CID 25161846) is [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-acetylphenoxy)propanoate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-acetylphenoxy)propanoate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-acetylphenoxy)propanoate is CC(=O)c1ccc(OC(C)C(=O)OCC(=O)NCCc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-acetylphenoxy)propanoate?
The InChIKey is SZFRRSYPVYAQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-15(23)18-8-10-19(11-9-18)27-16(2)21(25)26-14-20(24)22-13-12-17-6-4-3-5-7-17/h3-11,16H,12-14H2,1-2H3,(H,22,24).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-acetylphenoxy)propanoate?
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-acetylphenoxy)propanoate has a molecular weight of 369.42 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(4-acetylphenoxy)propanoate is sourced from PubChem (CID 25161846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).