3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]-5,5-dipropylimidazolidine-2,4-dione

C21H30N2O3 — CID 2579840

IUPAC3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]-5,5-dipropylimidazolidine-2,4-dione
SMILESCCCC1(CCC)NC(=O)N(CC(=O)c2c(C)c(C)cc(C)c2C)C1=O
InChIInChI=1S/C21H30N2O3/c1-7-9-21(10-8-2)19(25)23(20(26)22-21)12-17(24)18-15(5)13(3)11-14(4)16(18)6/h11H,7-10,12H2,1-6H3,(H,22,26)
InChIKeyWWYJODLTQPAAIK-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.99
Rot. Bonds7

About 3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]-5,5-dipropylimidazolidine-2,4-dione

3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]-5,5-dipropylimidazolidine-2,4-dione (PubChem CID 2579840) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]-5,5-dipropylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]-5,5-dipropylimidazolidine-2,4-dione
PubChem CID2579840
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]-5,5-dipropylimidazolidine-2,4-dione
SMILESCCCC1(CCC)NC(=O)N(CC(=O)c2c(C)c(C)cc(C)c2C)C1=O
InChIInChI=1S/C21H30N2O3/c1-7-9-21(10-8-2)19(25)23(20(26)22-21)12-17(24)18-15(5)13(3)11-14(4)16(18)6/h11H,7-10,12H2,1-6H3,(H,22,26)
InChIKeyWWYJODLTQPAAIK-UHFFFAOYSA-N
XLogP3.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]-5,5-dipropylimidazolidine-2,4-dione 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

ethyl 4-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 51309764
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617394
3-[2-(4-chlorophenyl)-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione
CID 29156188
3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-5,5-dipropylimidazolidine-2,4-dione
CID 42984126
N-(2,5-dimethylphenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
CID 2579807
3-[2-(azepan-1-yl)-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione
CID 84601215
N-[(2,4-dimethylphenyl)carbamoyl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
CID 2579695
N-[4-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]phenyl]-N-methylmethanesulfonamide
CID 7594741
phenyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 8765116
[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-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 51883733
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(2-methylpropyl)acetamide
CID 7241972

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]-5,5-dipropylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]-5,5-dipropylimidazolidine-2,4-dione (CID 2579840) is 3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]-5,5-dipropylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]-5,5-dipropylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]-5,5-dipropylimidazolidine-2,4-dione is CCCC1(CCC)NC(=O)N(CC(=O)c2c(C)c(C)cc(C)c2C)C1=O.
What is the InChIKey of 3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]-5,5-dipropylimidazolidine-2,4-dione?
The InChIKey is WWYJODLTQPAAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-7-9-21(10-8-2)19(25)23(20(26)22-21)12-17(24)18-15(5)13(3)11-14(4)16(18)6/h11H,7-10,12H2,1-6H3,(H,22,26).
What are the key properties of 3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]-5,5-dipropylimidazolidine-2,4-dione?
3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]-5,5-dipropylimidazolidine-2,4-dione has a molecular weight of 358.48 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]-5,5-dipropylimidazolidine-2,4-dione is sourced from PubChem (CID 2579840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).