2-methoxyethyl 4-oxo-4-[3-[(2-phenylacetyl)amino]anilino]butanoate

C21H24N2O5 — CID 17235638

IUPAC2-methoxyethyl 4-oxo-4-[3-[(2-phenylacetyl)amino]anilino]butanoate
SMILESCOCCOC(=O)CCC(=O)Nc1cccc(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C21H24N2O5/c1-27-12-13-28-21(26)11-10-19(24)22-17-8-5-9-18(15-17)23-20(25)14-16-6-3-2-4-7-16/h2-9,15H,10-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyCWOQKRZIFRNTHV-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.78
Rot. Bonds10

About 2-methoxyethyl 4-oxo-4-[3-[(2-phenylacetyl)amino]anilino]butanoate

2-methoxyethyl 4-oxo-4-[3-[(2-phenylacetyl)amino]anilino]butanoate (PubChem CID 17235638) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-methoxyethyl 4-oxo-4-[3-[(2-phenylacetyl)amino]anilino]butanoate.

Molecular Properties

Compound Name2-methoxyethyl 4-oxo-4-[3-[(2-phenylacetyl)amino]anilino]butanoate
PubChem CID17235638
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name2-methoxyethyl 4-oxo-4-[3-[(2-phenylacetyl)amino]anilino]butanoate
SMILESCOCCOC(=O)CCC(=O)Nc1cccc(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C21H24N2O5/c1-27-12-13-28-21(26)11-10-19(24)22-17-8-5-9-18(15-17)23-20(25)14-16-6-3-2-4-7-16/h2-9,15H,10-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyCWOQKRZIFRNTHV-UHFFFAOYSA-N
XLogP2.78
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.78
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

2-phenylethyl 4-[3-(furan-2-carbonylamino)anilino]-4-oxobutanoate
CID 26169071
2-phenylethyl 4-oxo-4-[3-[(2-phenoxyacetyl)amino]anilino]butanoate
CID 17231357
2-phenylethyl 4-oxo-4-[3-(2-phenoxyethoxy)anilino]butanoate
CID 17123549
3-phenylpropyl 4-oxo-4-[3-(phenylcarbamoyl)anilino]butanoate
CID 54781205
2-methoxyethyl 4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoate
CID 43877852
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17222836
3-phenylpropyl 4-[[3-(butanoylamino)phenyl]carbamothioylamino]-4-oxobutanoate
CID 17187712
2-phenylethyl 4-oxo-4-[3-(3-phenylpropoxy)anilino]butanoate
CID 17133245
N,N'-bis[3-[(2-phenylacetyl)amino]phenyl]nonanediamide
CID 17235933
3-phenylpropyl 5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoate
CID 17222891
3-phenylpropyl 4-[3-(tert-butylcarbamoyl)anilino]-4-oxobutanoate
CID 28639431
2-methoxyethyl 4-(4-methylanilino)-4-oxobutanoate
CID 17339062

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-oxo-4-[3-[(2-phenylacetyl)amino]anilino]butanoate?
The IUPAC name of 2-methoxyethyl 4-oxo-4-[3-[(2-phenylacetyl)amino]anilino]butanoate (CID 17235638) is 2-methoxyethyl 4-oxo-4-[3-[(2-phenylacetyl)amino]anilino]butanoate.
What is the SMILES notation for 2-methoxyethyl 4-oxo-4-[3-[(2-phenylacetyl)amino]anilino]butanoate?
The canonical SMILES for 2-methoxyethyl 4-oxo-4-[3-[(2-phenylacetyl)amino]anilino]butanoate is COCCOC(=O)CCC(=O)Nc1cccc(NC(=O)Cc2ccccc2)c1.
What is the InChIKey of 2-methoxyethyl 4-oxo-4-[3-[(2-phenylacetyl)amino]anilino]butanoate?
The InChIKey is CWOQKRZIFRNTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-27-12-13-28-21(26)11-10-19(24)22-17-8-5-9-18(15-17)23-20(25)14-16-6-3-2-4-7-16/h2-9,15H,10-14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-methoxyethyl 4-oxo-4-[3-[(2-phenylacetyl)amino]anilino]butanoate?
2-methoxyethyl 4-oxo-4-[3-[(2-phenylacetyl)amino]anilino]butanoate has a molecular weight of 384.43 g/mol, XLogP of 2.78, 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-[(2-phenylacetyl)amino]anilino]butanoate is sourced from PubChem (CID 17235638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).