[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 4-(4-methylphenyl)-4-oxobutanoate

C28H28N2O5 — CID 55306100

IUPAC[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 4-(4-methylphenyl)-4-oxobutanoate
SMILESCc1ccc(C(=O)CCC(=O)OCC(=O)Nc2ccccc2C(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C28H28N2O5/c1-19-12-14-22(15-13-19)25(31)16-17-27(33)35-18-26(32)30-24-11-7-6-10-23(24)28(34)29-20(2)21-8-4-3-5-9-21/h3-15,20H,16-18H2,1-2H3,(H,29,34)(H,30,32)
InChIKeyRWUMKPRZOGOVOB-UHFFFAOYSA-N
MW472.54 g/mol
LogP4.63
Rot. Bonds10

About [2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 4-(4-methylphenyl)-4-oxobutanoate

[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 4-(4-methylphenyl)-4-oxobutanoate (PubChem CID 55306100) has the molecular formula C28H28N2O5 and a molecular weight of 472.54 g/mol. Its IUPAC name is [2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 4-(4-methylphenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 4-(4-methylphenyl)-4-oxobutanoate
PubChem CID55306100
Molecular FormulaC28H28N2O5
Molecular Weight472.54 g/mol
Exact Mass472.20
IUPAC Name[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 4-(4-methylphenyl)-4-oxobutanoate
SMILESCc1ccc(C(=O)CCC(=O)OCC(=O)Nc2ccccc2C(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C28H28N2O5/c1-19-12-14-22(15-13-19)25(31)16-17-27(33)35-18-26(32)30-24-11-7-6-10-23(24)28(34)29-20(2)21-8-4-3-5-9-21/h3-15,20H,16-18H2,1-2H3,(H,29,34)(H,30,32)
InChIKeyRWUMKPRZOGOVOB-UHFFFAOYSA-N
XLogP4.63
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 4-(4-methylphenyl)-4-oxobutanoate with MolForge

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Related Compounds

2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 7894290
ethyl 2-[[2-[4-(4-methylphenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate
CID 24979171
[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] 4-hydroxybenzoate
CID 7866708
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2364494
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2386889
[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 2-(2-methoxy-4-methylphenoxy)acetate
CID 55326852
[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl] cyclopropanecarboxylate
CID 7863523
[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 4-(thiophene-3-carbonylamino)butanoate
CID 46816846
2-phenylethyl 4-oxo-4-[2-(1-phenylethylcarbamoyl)anilino]butanoate
CID 4946844
[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 2-(2-fluorophenoxy)acetate
CID 55316488
[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate
CID 8522192
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 4935075

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 4-(4-methylphenyl)-4-oxobutanoate?
The IUPAC name of [2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 4-(4-methylphenyl)-4-oxobutanoate (CID 55306100) is [2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 4-(4-methylphenyl)-4-oxobutanoate.
What is the SMILES notation for [2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 4-(4-methylphenyl)-4-oxobutanoate?
The canonical SMILES for [2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 4-(4-methylphenyl)-4-oxobutanoate is Cc1ccc(C(=O)CCC(=O)OCC(=O)Nc2ccccc2C(=O)NC(C)c2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 4-(4-methylphenyl)-4-oxobutanoate?
The InChIKey is RWUMKPRZOGOVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O5/c1-19-12-14-22(15-13-19)25(31)16-17-27(33)35-18-26(32)30-24-11-7-6-10-23(24)28(34)29-20(2)21-8-4-3-5-9-21/h3-15,20H,16-18H2,1-2H3,(H,29,34)(H,30,32).
What are the key properties of [2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 4-(4-methylphenyl)-4-oxobutanoate?
[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 4-(4-methylphenyl)-4-oxobutanoate has a molecular weight of 472.54 g/mol, XLogP of 4.63, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 4-(4-methylphenyl)-4-oxobutanoate is sourced from PubChem (CID 55306100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).