[2-oxo-2-(4-phenylphenyl)ethyl] 2-acetamidopropanoate

C19H19NO4 — CID 4161848

IUPAC[2-oxo-2-(4-phenylphenyl)ethyl] 2-acetamidopropanoate
SMILESCC(=O)NC(C)C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H19NO4/c1-13(20-14(2)21)19(23)24-12-18(22)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,20,21)
InChIKeyGNPBPOPWEFZFSV-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.60
Rot. Bonds6

About [2-oxo-2-(4-phenylphenyl)ethyl] 2-acetamidopropanoate

[2-oxo-2-(4-phenylphenyl)ethyl] 2-acetamidopropanoate (PubChem CID 4161848) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylphenyl)ethyl] 2-acetamidopropanoate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylphenyl)ethyl] 2-acetamidopropanoate
PubChem CID4161848
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name[2-oxo-2-(4-phenylphenyl)ethyl] 2-acetamidopropanoate
SMILESCC(=O)NC(C)C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H19NO4/c1-13(20-14(2)21)19(23)24-12-18(22)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,20,21)
InChIKeyGNPBPOPWEFZFSV-UHFFFAOYSA-N
XLogP2.60
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-(4-phenylphenyl)ethyl] 2-acetamidopropanoate 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-(4-phenylphenyl)ethyl] 2-acetamidopropanoate?
The IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 2-acetamidopropanoate (CID 4161848) is [2-oxo-2-(4-phenylphenyl)ethyl] 2-acetamidopropanoate.
What is the SMILES notation for [2-oxo-2-(4-phenylphenyl)ethyl] 2-acetamidopropanoate?
The canonical SMILES for [2-oxo-2-(4-phenylphenyl)ethyl] 2-acetamidopropanoate is CC(=O)NC(C)C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenylphenyl)ethyl] 2-acetamidopropanoate?
The InChIKey is GNPBPOPWEFZFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-13(20-14(2)21)19(23)24-12-18(22)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,20,21).
What are the key properties of [2-oxo-2-(4-phenylphenyl)ethyl] 2-acetamidopropanoate?
[2-oxo-2-(4-phenylphenyl)ethyl] 2-acetamidopropanoate has a molecular weight of 325.36 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylphenyl)ethyl] 2-acetamidopropanoate is sourced from PubChem (CID 4161848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).