butyl 4-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate

C23H24ClNO6 — CID 2883144

IUPACbutyl 4-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H24ClNO6/c1-2-3-14-30-23(29)17-6-10-19(11-7-17)25-21(27)12-13-22(28)31-15-20(26)16-4-8-18(24)9-5-16/h4-11H,2-3,12-15H2,1H3,(H,25,27)
InChIKeyUXRVHNKYKPGECU-UHFFFAOYSA-N
MW445.90 g/mol
LogP4.44
Rot. Bonds11

About butyl 4-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate

butyl 4-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate (PubChem CID 2883144) has the molecular formula C23H24ClNO6 and a molecular weight of 445.90 g/mol. Its IUPAC name is butyl 4-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate.

Molecular Properties

Compound Namebutyl 4-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate
PubChem CID2883144
Molecular FormulaC23H24ClNO6
Molecular Weight445.90 g/mol
Exact Mass445.13
IUPAC Namebutyl 4-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H24ClNO6/c1-2-3-14-30-23(29)17-6-10-19(11-7-17)25-21(27)12-13-22(28)31-15-20(26)16-4-8-18(24)9-5-16/h4-11H,2-3,12-15H2,1H3,(H,25,27)
InChIKeyUXRVHNKYKPGECU-UHFFFAOYSA-N
XLogP4.44
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.90
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze butyl 4-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butyl 4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]benzoate
CID 108808160
butyl 4-[[4-[2-(4-fluorophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate
CID 4219345
butyl 4-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzoate
CID 7927019
[2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 7750261
4-[4-[2-(4-chlorophenyl)-2-oxoethoxy]carbonylanilino]-4-oxobutanoate
CID 6974741
butyl 4-(decanoylamino)benzoate
CID 3404776
butyl 4-[[2-[4-oxo-4-[3-(trifluoromethyl)anilino]butanoyl]oxyacetyl]amino]benzoate
CID 17260342
butyl 4-[3-[3-(4-butoxycarbonylanilino)-3-oxopropyl]sulfanylpropanoylamino]benzoate
CID 4046544
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
CID 16556562
butyl 4-[(2-methoxyacetyl)amino]benzoate
CID 19178350
propyl 4-[3-(4-chlorophenyl)propanoylamino]benzoate
CID 19220847
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 7750963

Frequently Asked Questions

What is the IUPAC name of butyl 4-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate?
The IUPAC name of butyl 4-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate (CID 2883144) is butyl 4-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate.
What is the SMILES notation for butyl 4-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate?
The canonical SMILES for butyl 4-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate is CCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of butyl 4-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate?
The InChIKey is UXRVHNKYKPGECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO6/c1-2-3-14-30-23(29)17-6-10-19(11-7-17)25-21(27)12-13-22(28)31-15-20(26)16-4-8-18(24)9-5-16/h4-11H,2-3,12-15H2,1H3,(H,25,27).
What are the key properties of butyl 4-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate?
butyl 4-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate has a molecular weight of 445.90 g/mol, XLogP of 4.44, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate is sourced from PubChem (CID 2883144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).