[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate

C22H30N2O5 — CID 7617394

IUPAC[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
SMILESCCCC1(CCC)NC(=O)N(CC(=O)OCC(=O)c2cc(C)c(C)cc2C)C1=O
InChIInChI=1S/C22H30N2O5/c1-6-8-22(9-7-2)20(27)24(21(28)23-22)12-19(26)29-13-18(25)17-11-15(4)14(3)10-16(17)5/h10-11H,6-9,12-13H2,1-5H3,(H,23,28)
InChIKeyPIUOBANNMDLEEO-UHFFFAOYSA-N
MW402.49 g/mol
LogP3.23
Rot. Bonds9

About [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate

[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate (PubChem CID 7617394) has the molecular formula C22H30N2O5 and a molecular weight of 402.49 g/mol. Its IUPAC name is [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
PubChem CID7617394
Molecular FormulaC22H30N2O5
Molecular Weight402.49 g/mol
Exact Mass402.22
IUPAC Name[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
SMILESCCCC1(CCC)NC(=O)N(CC(=O)OCC(=O)c2cc(C)c(C)cc2C)C1=O
InChIInChI=1S/C22H30N2O5/c1-6-8-22(9-7-2)20(27)24(21(28)23-22)12-19(26)29-13-18(25)17-11-15(4)14(3)10-16(17)5/h10-11H,6-9,12-13H2,1-5H3,(H,23,28)
InChIKeyPIUOBANNMDLEEO-UHFFFAOYSA-N
XLogP3.23
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate 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

[2-(4-acetamidophenyl)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617439
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617404
[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691332
3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]-5,5-dipropylimidazolidine-2,4-dione
CID 2579840
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617395
[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691129
benzyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617485
[2-(cyclopropylamino)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617522
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 4538442
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 42984950
[2-(cyclopentylamino)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617533
[2-(4-tert-butylanilino)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617508

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate?
The IUPAC name of [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate (CID 7617394) is [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate.
What is the SMILES notation for [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate?
The canonical SMILES for [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate is CCCC1(CCC)NC(=O)N(CC(=O)OCC(=O)c2cc(C)c(C)cc2C)C1=O.
What is the InChIKey of [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate?
The InChIKey is PIUOBANNMDLEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O5/c1-6-8-22(9-7-2)20(27)24(21(28)23-22)12-19(26)29-13-18(25)17-11-15(4)14(3)10-16(17)5/h10-11H,6-9,12-13H2,1-5H3,(H,23,28).
What are the key properties of [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate?
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate has a molecular weight of 402.49 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate is sourced from PubChem (CID 7617394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).