[2-(2,5-dimethylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate

C22H26N2O4 — CID 9067633

IUPAC[2-(2,5-dimethylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate
SMILESCCc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C22H26N2O4/c1-4-17-7-5-6-8-18(17)23-20(25)11-12-22(27)28-14-21(26)24-19-13-15(2)9-10-16(19)3/h5-10,13H,4,11-12,14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyDTPHUMJESUPOMS-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.77
Rot. Bonds8

About [2-(2,5-dimethylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate

[2-(2,5-dimethylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate (PubChem CID 9067633) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is [2-(2,5-dimethylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate.

Molecular Properties

Compound Name[2-(2,5-dimethylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate
PubChem CID9067633
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name[2-(2,5-dimethylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate
SMILESCCc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C22H26N2O4/c1-4-17-7-5-6-8-18(17)23-20(25)11-12-22(27)28-14-21(26)24-19-13-15(2)9-10-16(19)3/h5-10,13H,4,11-12,14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyDTPHUMJESUPOMS-UHFFFAOYSA-N
XLogP3.77
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-methylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate
CID 9067637
[2-(2-ethylanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate
CID 9067652
1-(2,5-dimethylphenyl)-3-(2-ethylphenyl)urea
CID 17270131
2-methoxyethyl 4-(2,5-dimethylanilino)-4-oxobutanoate
CID 17339054
[2-(2-ethylanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 7997857
2-[(2,5-dimethylphenyl)carbamothioylamino]-N-(2-ethylphenyl)acetamide
CID 8628442
[2-(2-acetylanilino)-2-oxoethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7221760
[2-(2-chloroanilino)-2-oxoethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7212798
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542958
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7759288
[2-(2,5-dimethylanilino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 7168521
[2-(2-methoxyanilino)-2-oxoethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7212928

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate?
The IUPAC name of [2-(2,5-dimethylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate (CID 9067633) is [2-(2,5-dimethylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate.
What is the SMILES notation for [2-(2,5-dimethylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate?
The canonical SMILES for [2-(2,5-dimethylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate is CCc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1cc(C)ccc1C.
What is the InChIKey of [2-(2,5-dimethylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate?
The InChIKey is DTPHUMJESUPOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-4-17-7-5-6-8-18(17)23-20(25)11-12-22(27)28-14-21(26)24-19-13-15(2)9-10-16(19)3/h5-10,13H,4,11-12,14H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of [2-(2,5-dimethylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate?
[2-(2,5-dimethylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate has a molecular weight of 382.46 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate is sourced from PubChem (CID 9067633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).