[2-(2,4-dimethylanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate

C20H28N2O4 — CID 9067614

IUPAC[2-(2,4-dimethylanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate
SMILESCc1ccc(NC(=O)COC(=O)CCC(=O)NC2CCCCC2)c(C)c1
InChIInChI=1S/C20H28N2O4/c1-14-8-9-17(15(2)12-14)22-19(24)13-26-20(25)11-10-18(23)21-16-6-4-3-5-7-16/h8-9,12,16H,3-7,10-11,13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyZMPNYOLIPGCWGC-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.01
Rot. Bonds7

About [2-(2,4-dimethylanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate

[2-(2,4-dimethylanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate (PubChem CID 9067614) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is [2-(2,4-dimethylanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate.

Molecular Properties

Compound Name[2-(2,4-dimethylanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate
PubChem CID9067614
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name[2-(2,4-dimethylanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate
SMILESCc1ccc(NC(=O)COC(=O)CCC(=O)NC2CCCCC2)c(C)c1
InChIInChI=1S/C20H28N2O4/c1-14-8-9-17(15(2)12-14)22-19(24)13-26-20(25)11-10-18(23)21-16-6-4-3-5-7-16/h8-9,12,16H,3-7,10-11,13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyZMPNYOLIPGCWGC-UHFFFAOYSA-N
XLogP3.01
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,4-dimethylanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2495268
[2-(2,4-dichloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate
CID 9067618
[2-(4-bromo-2-chloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate
CID 17258306
[2-(cyclopentylamino)-2-oxoethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7212906
2-(cyclohexylcarbamoylamino)-N-(2,4-dimethylphenyl)acetamide
CID 112996389
[2-(2,4-dimethylanilino)-2-oxoethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7212915
N-cyclopropyl-N'-(2,4-dimethylphenyl)propanediamide
CID 108941058
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-methoxyacetate
CID 7776162
[2-(2,4-dimethylanilino)-2-oxoethyl] (1S)-cyclohex-3-ene-1-carboxylate
CID 7948972
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751589
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751571
[2-(cyclooctylamino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 24817967

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethylanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate?
The IUPAC name of [2-(2,4-dimethylanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate (CID 9067614) is [2-(2,4-dimethylanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate.
What is the SMILES notation for [2-(2,4-dimethylanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate?
The canonical SMILES for [2-(2,4-dimethylanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate is Cc1ccc(NC(=O)COC(=O)CCC(=O)NC2CCCCC2)c(C)c1.
What is the InChIKey of [2-(2,4-dimethylanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate?
The InChIKey is ZMPNYOLIPGCWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-14-8-9-17(15(2)12-14)22-19(24)13-26-20(25)11-10-18(23)21-16-6-4-3-5-7-16/h8-9,12,16H,3-7,10-11,13H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of [2-(2,4-dimethylanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate?
[2-(2,4-dimethylanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate has a molecular weight of 360.45 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethylanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate is sourced from PubChem (CID 9067614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).