2-methoxyethyl 4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoate

C22H26N2O5 — CID 43877852

IUPAC2-methoxyethyl 4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoate
SMILESCOCCOC(=O)CCC(=O)Nc1cccc(C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C22H26N2O5/c1-16(17-7-4-3-5-8-17)23-22(27)18-9-6-10-19(15-18)24-20(25)11-12-21(26)29-14-13-28-2/h3-10,15-16H,11-14H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyONOFQBPCYRSPDJ-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.09
Rot. Bonds10

About 2-methoxyethyl 4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoate

2-methoxyethyl 4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoate (PubChem CID 43877852) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-methoxyethyl 4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoate.

Molecular Properties

Compound Name2-methoxyethyl 4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoate
PubChem CID43877852
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name2-methoxyethyl 4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoate
SMILESCOCCOC(=O)CCC(=O)Nc1cccc(C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C22H26N2O5/c1-16(17-7-4-3-5-8-17)23-22(27)18-9-6-10-19(15-18)24-20(25)11-12-21(26)29-14-13-28-2/h3-10,15-16H,11-14H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyONOFQBPCYRSPDJ-UHFFFAOYSA-N
XLogP3.09
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoic acid
CID 43877722
N,N'-bis[3-(1-phenylethylcarbamoyl)phenyl]nonanediamide
CID 43878143
ethyl 4-oxo-4-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioylamino]butanoate
CID 43878014
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
3-[(2-bromoacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 93083294
N-(1-phenylethyl)-3-(tetradecanoylamino)benzamide
CID 54791898
3-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)benzamide
CID 43877736
3-[[2-(4-methoxyphenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877752
2-methoxyethyl 4-oxo-4-[3-[(2-phenylacetyl)amino]anilino]butanoate
CID 17235638
3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54842211
2-phenylethyl 4-oxo-4-[[3-(propan-2-ylcarbamoyl)phenyl]carbamothioylamino]butanoate
CID 17197716
N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837990

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoate?
The IUPAC name of 2-methoxyethyl 4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoate (CID 43877852) is 2-methoxyethyl 4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoate.
What is the SMILES notation for 2-methoxyethyl 4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoate?
The canonical SMILES for 2-methoxyethyl 4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoate is COCCOC(=O)CCC(=O)Nc1cccc(C(=O)NC(C)c2ccccc2)c1.
What is the InChIKey of 2-methoxyethyl 4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoate?
The InChIKey is ONOFQBPCYRSPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-16(17-7-4-3-5-8-17)23-22(27)18-9-6-10-19(15-18)24-20(25)11-12-21(26)29-14-13-28-2/h3-10,15-16H,11-14H2,1-2H3,(H,23,27)(H,24,25).
What are the key properties of 2-methoxyethyl 4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoate?
2-methoxyethyl 4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoate has a molecular weight of 398.46 g/mol, XLogP of 3.09, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoate is sourced from PubChem (CID 43877852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).