propyl 4-[[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate

C24H28N2O6 — CID 17259988

IUPACpropyl 4-[[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C24H28N2O6/c1-4-13-31-24(30)18-6-8-19(9-7-18)25-21(27)11-12-23(29)32-15-22(28)26-20-10-5-16(2)14-17(20)3/h5-10,14H,4,11-13,15H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyAZHCZNRHHXQYNT-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.77
Rot. Bonds10

About propyl 4-[[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate

propyl 4-[[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate (PubChem CID 17259988) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is propyl 4-[[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate
PubChem CID17259988
Molecular FormulaC24H28N2O6
Molecular Weight440.50 g/mol
Exact Mass440.19
IUPAC Namepropyl 4-[[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C24H28N2O6/c1-4-13-31-24(30)18-6-8-19(9-7-18)25-21(27)11-12-23(29)32-15-22(28)26-20-10-5-16(2)14-17(20)3/h5-10,14H,4,11-13,15H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyAZHCZNRHHXQYNT-UHFFFAOYSA-N
XLogP3.77
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze propyl 4-[[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate with MolForge

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Related Compounds

[2-(2,4-dimethylanilino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 7808353
propyl 4-[[4-[2-(2-benzoylhydrazinyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate
CID 17259572
[2-(4-butoxycarbonylanilino)-2-oxoethyl] 2,4-dimethylbenzoate
CID 7796041
propyl 4-[3-(4-methylphenoxy)propanoylamino]benzoate
CID 108802763
[2-(2,4-dimethylanilino)-2-oxoethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7212915
butyl 4-[[2-[4-oxo-4-[3-(trifluoromethyl)anilino]butanoyl]oxyacetyl]amino]benzoate
CID 17260342
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-methoxyacetate
CID 7776162
propyl 4-[4-(2-bromo-4-methylphenoxy)butanoylamino]benzoate
CID 19201851
[2-(2,4-dimethylanilino)-2-oxoethyl] 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate
CID 17388477
[2-(2,4-dimethylanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate
CID 9067614
hexyl 4-[4-(2,4-dimethylphenoxy)butanoylamino]benzoate
CID 19177713
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 4-(4-methylanilino)-4-oxobutanoate
CID 17258289

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate?
The IUPAC name of propyl 4-[[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate (CID 17259988) is propyl 4-[[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate.
What is the SMILES notation for propyl 4-[[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate?
The canonical SMILES for propyl 4-[[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate is CCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of propyl 4-[[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate?
The InChIKey is AZHCZNRHHXQYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6/c1-4-13-31-24(30)18-6-8-19(9-7-18)25-21(27)11-12-23(29)32-15-22(28)26-20-10-5-16(2)14-17(20)3/h5-10,14H,4,11-13,15H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of propyl 4-[[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate?
propyl 4-[[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate has a molecular weight of 440.50 g/mol, XLogP of 3.77, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate is sourced from PubChem (CID 17259988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).