3-[2-(2,5-dimethylphenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione

C17H24N2O3 — CID 84601494

IUPAC3-[2-(2,5-dimethylphenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CCOc2cc(C)ccc2C)C1=O
InChIInChI=1S/C17H24N2O3/c1-5-17(6-2)15(20)19(16(21)18-17)9-10-22-14-11-12(3)7-8-13(14)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,18,21)
InChIKeyQTTMJCFVHZKFCL-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.79
Rot. Bonds6

About 3-[2-(2,5-dimethylphenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione

3-[2-(2,5-dimethylphenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione (PubChem CID 84601494) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-[2-(2,5-dimethylphenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2,5-dimethylphenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione
PubChem CID84601494
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name3-[2-(2,5-dimethylphenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CCOc2cc(C)ccc2C)C1=O
InChIInChI=1S/C17H24N2O3/c1-5-17(6-2)15(20)19(16(21)18-17)9-10-22-14-11-12(3)7-8-13(14)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,18,21)
InChIKeyQTTMJCFVHZKFCL-UHFFFAOYSA-N
XLogP2.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,5-diethyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 7181009
3-[2-(2,5-dimethylphenoxy)ethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 112774127
3-[2-(4-chlorophenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione
CID 7181008
5,5-diethyl-3-propylimidazolidine-2,4-dione
CID 78907676
1-[2-(2,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole
CID 82085211
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 2338322
1,4-dimethyl-2-pentoxybenzene
CID 59184214
2-[2-(2,5-dimethylphenoxy)ethyl]-5-methylpyridazin-3-one
CID 154754926
1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-one
CID 82129078
2-hexadecoxy-1,4-dimethylbenzene
CID 102286063
5-butyl-3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
CID 18086974
1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-3,4-diol
CID 106672249

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dimethylphenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2,5-dimethylphenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione (CID 84601494) is 3-[2-(2,5-dimethylphenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2,5-dimethylphenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2,5-dimethylphenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione is CCC1(CC)NC(=O)N(CCOc2cc(C)ccc2C)C1=O.
What is the InChIKey of 3-[2-(2,5-dimethylphenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione?
The InChIKey is QTTMJCFVHZKFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-5-17(6-2)15(20)19(16(21)18-17)9-10-22-14-11-12(3)7-8-13(14)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,18,21).
What are the key properties of 3-[2-(2,5-dimethylphenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione?
3-[2-(2,5-dimethylphenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione has a molecular weight of 304.39 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dimethylphenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione is sourced from PubChem (CID 84601494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).