2-methoxyethyl 4-(4-methylanilino)-4-oxobutanoate

C14H19NO4 — CID 17339062

IUPAC2-methoxyethyl 4-(4-methylanilino)-4-oxobutanoate
SMILESCOCCOC(=O)CCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C14H19NO4/c1-11-3-5-12(6-4-11)15-13(16)7-8-14(17)19-10-9-18-2/h3-6H,7-10H2,1-2H3,(H,15,16)
InChIKeyHHSLIFAJJLQUGF-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.90
Rot. Bonds7

About 2-methoxyethyl 4-(4-methylanilino)-4-oxobutanoate

2-methoxyethyl 4-(4-methylanilino)-4-oxobutanoate (PubChem CID 17339062) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-methoxyethyl 4-(4-methylanilino)-4-oxobutanoate.

Molecular Properties

Compound Name2-methoxyethyl 4-(4-methylanilino)-4-oxobutanoate
PubChem CID17339062
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-methoxyethyl 4-(4-methylanilino)-4-oxobutanoate
SMILESCOCCOC(=O)CCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C14H19NO4/c1-11-3-5-12(6-4-11)15-13(16)7-8-14(17)19-10-9-18-2/h3-6H,7-10H2,1-2H3,(H,15,16)
InChIKeyHHSLIFAJJLQUGF-UHFFFAOYSA-N
XLogP1.90
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl 4-(2,5-dimethylanilino)-4-oxobutanoate
CID 17339054
2-methoxyethyl 4-[4-(3-methylbutoxy)anilino]-4-oxobutanoate
CID 17339142
2-methoxyethyl 4-[4-(2-methylpropoxy)anilino]-4-oxobutanoate
CID 17339139
2-methoxyethyl 4-[4-[(3,4-dimethylphenyl)sulfamoyl]anilino]-4-oxobutanoate
CID 17339028
2-methoxyethyl 4-[4-(azepane-1-carbonyl)anilino]-4-oxobutanoate
CID 17199104
2-methoxyethyl 4-[4-(morpholine-4-carbonyl)anilino]-4-oxobutanoate
CID 17194785
2-methoxyethyl 4-(2,3-dimethylanilino)-4-oxobutanoate
CID 17339093
N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide
CID 143641353
2-methoxyethyl 4-[[4-(ethylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate
CID 17234537
[2-(4-methoxyanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 9139564
2-methoxyethyl 4-oxo-4-[3-[(2-phenylacetyl)amino]anilino]butanoate
CID 17235638
ethyl 4-(4-ethylanilino)-4-oxobutanoate
CID 60636835

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-(4-methylanilino)-4-oxobutanoate?
The IUPAC name of 2-methoxyethyl 4-(4-methylanilino)-4-oxobutanoate (CID 17339062) is 2-methoxyethyl 4-(4-methylanilino)-4-oxobutanoate.
What is the SMILES notation for 2-methoxyethyl 4-(4-methylanilino)-4-oxobutanoate?
The canonical SMILES for 2-methoxyethyl 4-(4-methylanilino)-4-oxobutanoate is COCCOC(=O)CCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-methoxyethyl 4-(4-methylanilino)-4-oxobutanoate?
The InChIKey is HHSLIFAJJLQUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-11-3-5-12(6-4-11)15-13(16)7-8-14(17)19-10-9-18-2/h3-6H,7-10H2,1-2H3,(H,15,16).
What are the key properties of 2-methoxyethyl 4-(4-methylanilino)-4-oxobutanoate?
2-methoxyethyl 4-(4-methylanilino)-4-oxobutanoate has a molecular weight of 265.31 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-(4-methylanilino)-4-oxobutanoate is sourced from PubChem (CID 17339062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).