[2-(2-ethylanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate

C23H28N2O4 — CID 9067652

IUPAC[2-(2-ethylanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate
SMILESCCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccccc1CC
InChIInChI=1S/C23H28N2O4/c1-3-17-10-5-7-12-19(17)24-21(26)14-9-15-23(28)29-16-22(27)25-20-13-8-6-11-18(20)4-2/h5-8,10-13H,3-4,9,14-16H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyPEIAIGUSOXKQJT-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.10
Rot. Bonds10

About [2-(2-ethylanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate

[2-(2-ethylanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate (PubChem CID 9067652) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is [2-(2-ethylanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate.

Molecular Properties

Compound Name[2-(2-ethylanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate
PubChem CID9067652
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name[2-(2-ethylanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate
SMILESCCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccccc1CC
InChIInChI=1S/C23H28N2O4/c1-3-17-10-5-7-12-19(17)24-21(26)14-9-15-23(28)29-16-22(27)25-20-13-8-6-11-18(20)4-2/h5-8,10-13H,3-4,9,14-16H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyPEIAIGUSOXKQJT-UHFFFAOYSA-N
XLogP4.10
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-fluoroanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate
CID 17259335
[2-(4-methoxyanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate
CID 9067653
[2-(2,6-diethylanilino)-2-oxoethyl] 5-anilino-5-oxopentanoate
CID 17258700
[2-(2,5-dimethylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate
CID 9067633
[2-(3-methylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate
CID 9067637
[2-(2-ethylanilino)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 7840983
N-(2-ethylphenyl)undecanamide
CID 5078439
N-(2-ethylphenyl)heptanamide
CID 4582103
[2-(2-ethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8579246
[2-oxo-2-[2-(2-phenylethyl)anilino]ethyl] (9Z,12Z)-octadeca-9,12-dienoate
CID 70420704
2-methylpropyl 4-[[4-[2-(2-ethylanilino)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate
CID 17087333
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate?
The IUPAC name of [2-(2-ethylanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate (CID 9067652) is [2-(2-ethylanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate.
What is the SMILES notation for [2-(2-ethylanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate?
The canonical SMILES for [2-(2-ethylanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate is CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccccc1CC.
What is the InChIKey of [2-(2-ethylanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate?
The InChIKey is PEIAIGUSOXKQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-3-17-10-5-7-12-19(17)24-21(26)14-9-15-23(28)29-16-22(27)25-20-13-8-6-11-18(20)4-2/h5-8,10-13H,3-4,9,14-16H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of [2-(2-ethylanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate?
[2-(2-ethylanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate has a molecular weight of 396.49 g/mol, XLogP of 4.10, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate is sourced from PubChem (CID 9067652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).