5,5-diethyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione

C16H22N2O3 — CID 7181009

IUPAC5,5-diethyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CCOc2ccc(C)cc2)C1=O
InChIInChI=1S/C16H22N2O3/c1-4-16(5-2)14(19)18(15(20)17-16)10-11-21-13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3,(H,17,20)
InChIKeyONXQDNYFXCHVIF-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.48
Rot. Bonds6

About 5,5-diethyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione

5,5-diethyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione (PubChem CID 7181009) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 5,5-diethyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-diethyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
PubChem CID7181009
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name5,5-diethyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CCOc2ccc(C)cc2)C1=O
InChIInChI=1S/C16H22N2O3/c1-4-16(5-2)14(19)18(15(20)17-16)10-11-21-13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3,(H,17,20)
InChIKeyONXQDNYFXCHVIF-UHFFFAOYSA-N
XLogP2.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.48
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

3-[2-(4-chlorophenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione
CID 7181008
3-[2-(2,5-dimethylphenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione
CID 84601494
(5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 7181227
3-[2-(4-methylphenoxy)ethyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 42979131
5-(4-chlorophenyl)-5-methyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 4671924
5,5-dimethyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione
CID 47003689
3-[2-(4-propoxyphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610137
5-(furan-2-yl)-5-methyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 46640128
5-ethyl-5-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione
CID 4579823
(5R)-5-methyl-3-[2-(4-methylphenoxy)ethyl]-5-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
CID 52517969
5,5-diethyl-3-propylimidazolidine-2,4-dione
CID 78907676
(4R)-3'-[2-(4-methylphenoxy)ethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 7987669

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-diethyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione (CID 7181009) is 5,5-diethyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-diethyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-diethyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione is CCC1(CC)NC(=O)N(CCOc2ccc(C)cc2)C1=O.
What is the InChIKey of 5,5-diethyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione?
The InChIKey is ONXQDNYFXCHVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-16(5-2)14(19)18(15(20)17-16)10-11-21-13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3,(H,17,20).
What are the key properties of 5,5-diethyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione?
5,5-diethyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione has a molecular weight of 290.36 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 7181009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).