5-butyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione

C19H28N2O4 — CID 18086975

IUPAC5-butyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
SMILESCCCCC1(C)NC(=O)N(CC(O)COc2ccc(CC)cc2)C1=O
InChIInChI=1S/C19H28N2O4/c1-4-6-11-19(3)17(23)21(18(24)20-19)12-15(22)13-25-16-9-7-14(5-2)8-10-16/h7-10,15,22H,4-6,11-13H2,1-3H3,(H,20,24)
InChIKeyHAAIABYUJMMIEB-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.49
Rot. Bonds9

About 5-butyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione

5-butyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione (PubChem CID 18086975) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 5-butyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-butyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
PubChem CID18086975
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name5-butyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
SMILESCCCCC1(C)NC(=O)N(CC(O)COc2ccc(CC)cc2)C1=O
InChIInChI=1S/C19H28N2O4/c1-4-6-11-19(3)17(23)21(18(24)20-19)12-15(22)13-25-16-9-7-14(5-2)8-10-16/h7-10,15,22H,4-6,11-13H2,1-3H3,(H,20,24)
InChIKeyHAAIABYUJMMIEB-UHFFFAOYSA-N
XLogP2.49
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-hexyl-3-(2-hydroxy-3-phenoxypropyl)-5-methylimidazolidine-2,4-dione
CID 18275453
(5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propylimidazolidine-2,4-dione
CID 94389630
5-butyl-3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
CID 18086974
methyl 4-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]benzoate
CID 18125644
(5R)-5-ethyl-3-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-5-methylimidazolidine-2,4-dione
CID 31570678
3-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 769267
2-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]isoindole-1,3-dione
CID 40804129
(5S)-5-butyl-3-[(2R)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
CID 39972624
(5S)-5-butyl-3-[(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
CID 39972628
(5S)-5-butyl-3-[(2R)-2-hydroxy-3-[(R)-(4-methylphenyl)-phenylmethoxy]propyl]-5-methylimidazolidine-2,4-dione
CID 98678800
2-[3-(4-ethylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 18087083
3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
CID 42952066

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-butyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione (CID 18086975) is 5-butyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-butyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-butyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione is CCCCC1(C)NC(=O)N(CC(O)COc2ccc(CC)cc2)C1=O.
What is the InChIKey of 5-butyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is HAAIABYUJMMIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-4-6-11-19(3)17(23)21(18(24)20-19)12-15(22)13-25-16-9-7-14(5-2)8-10-16/h7-10,15,22H,4-6,11-13H2,1-3H3,(H,20,24).
What are the key properties of 5-butyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione?
5-butyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 348.44 g/mol, XLogP of 2.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 18086975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).