[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate

C25H32N2O4 — CID 8626175

IUPAC[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate
SMILESCCc1ccccc1NC(=O)CNC(=O)COC(=O)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H32N2O4/c1-5-19-8-6-7-9-21(19)27-22(28)16-26-23(29)17-31-24(30)15-12-18-10-13-20(14-11-18)25(2,3)4/h6-11,13-14H,5,12,15-17H2,1-4H3,(H,26,29)(H,27,28)
InChIKeyQYGPHCSCTHDPJA-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.78
Rot. Bonds9

About [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate

[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate (PubChem CID 8626175) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate.

Molecular Properties

Compound Name[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate
PubChem CID8626175
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate
SMILESCCc1ccccc1NC(=O)CNC(=O)COC(=O)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H32N2O4/c1-5-19-8-6-7-9-21(19)27-22(28)16-26-23(29)17-31-24(30)15-12-18-10-13-20(14-11-18)25(2,3)4/h6-11,13-14H,5,12,15-17H2,1-4H3,(H,26,29)(H,27,28)
InChIKeyQYGPHCSCTHDPJA-UHFFFAOYSA-N
XLogP3.78
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate with MolForge

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Related Compounds

[2-(2-methylanilino)-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate
CID 8506708
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 9197040
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3-(4-tert-butylphenyl)propanoate
CID 8626203
[2-(2-ethylanilino)-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
CID 35379939
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 9335548
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 9201594
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-cyclopentylacetate
CID 9202919
trans-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 9230482
[2-(2-ethylanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate
CID 9067652
3-[(4-tert-butylphenyl)sulfonylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide
CID 24543914
N-(2-ethylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide
CID 38167227
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-phenylbutanoate
CID 9229972

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate?
The IUPAC name of [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate (CID 8626175) is [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate.
What is the SMILES notation for [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate?
The canonical SMILES for [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate is CCc1ccccc1NC(=O)CNC(=O)COC(=O)CCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate?
The InChIKey is QYGPHCSCTHDPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-5-19-8-6-7-9-21(19)27-22(28)16-26-23(29)17-31-24(30)15-12-18-10-13-20(14-11-18)25(2,3)4/h6-11,13-14H,5,12,15-17H2,1-4H3,(H,26,29)(H,27,28).
What are the key properties of [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate?
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate has a molecular weight of 424.54 g/mol, XLogP of 3.78, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate is sourced from PubChem (CID 8626175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).