5,5-dimethyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione

C16H22N2O4 — CID 47003689

IUPAC5,5-dimethyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione
SMILESCCCOc1ccc(OCCN2C(=O)NC(C)(C)C2=O)cc1
InChIInChI=1S/C16H22N2O4/c1-4-10-21-12-5-7-13(8-6-12)22-11-9-18-14(19)16(2,3)17-15(18)20/h5-8H,4,9-11H2,1-3H3,(H,17,20)
InChIKeyNNONMHPLEUHJOT-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.18
Rot. Bonds7

About 5,5-dimethyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione (PubChem CID 47003689) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione
PubChem CID47003689
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name5,5-dimethyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione
SMILESCCCOc1ccc(OCCN2C(=O)NC(C)(C)C2=O)cc1
InChIInChI=1S/C16H22N2O4/c1-4-10-21-12-5-7-13(8-6-12)22-11-9-18-14(19)16(2,3)17-15(18)20/h5-8H,4,9-11H2,1-3H3,(H,17,20)
InChIKeyNNONMHPLEUHJOT-UHFFFAOYSA-N
XLogP2.18
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-propoxyphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610137
(5S)-5-cyclohexyl-5-methyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione
CID 7619041
5,5-dimethyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione
CID 42976368
5,5-diethyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 7181009
5-ethyl-5-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione
CID 4579823
3-[2-(4-chlorophenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione
CID 7181008
3-(4-fluorophenoxy)propyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 46815141
3-[2-(4-aminophenoxy)ethyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 82149162
3,3-dimethyl-1-(4-propoxyphenyl)piperazine-2,5-dione
CID 64968760
2-(4-bromophenoxy)ethyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 8703261
3-[2-(4-fluorophenoxy)ethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 46615775
5,5-dimethyl-3-[2-(2-propanoylphenoxy)ethyl]imidazolidine-2,4-dione
CID 973291

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione (CID 47003689) is 5,5-dimethyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione is CCCOc1ccc(OCCN2C(=O)NC(C)(C)C2=O)cc1.
What is the InChIKey of 5,5-dimethyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione?
The InChIKey is NNONMHPLEUHJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-4-10-21-12-5-7-13(8-6-12)22-11-9-18-14(19)16(2,3)17-15(18)20/h5-8H,4,9-11H2,1-3H3,(H,17,20).
What are the key properties of 5,5-dimethyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione has a molecular weight of 306.36 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 47003689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).