3-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione

C17H22N2O4 — CID 750544

IUPAC3-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESC=CCc1ccccc1OC[C@@H](O)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C17H22N2O4/c1-4-7-12-8-5-6-9-14(12)23-11-13(20)10-19-15(21)17(2,3)18-16(19)22/h4-6,8-9,13,20H,1,7,10-11H2,2-3H3,(H,18,22)/t13-/m0/s1
InChIKeyTYDOGTWUTRFOEM-ZDUSSCGKSA-N
MW318.37 g/mol
LogP1.49
Rot. Bonds7

About 3-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione

3-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 750544) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 3-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID750544
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name3-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESC=CCc1ccccc1OC[C@@H](O)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C17H22N2O4/c1-4-7-12-8-5-6-9-14(12)23-11-13(20)10-19-15(21)17(2,3)18-16(19)22/h4-6,8-9,13,20H,1,7,10-11H2,2-3H3,(H,18,22)/t13-/m0/s1
InChIKeyTYDOGTWUTRFOEM-ZDUSSCGKSA-N
XLogP1.49
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 51223027
3-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 742840
3-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 51223241
3-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 769267
1-(3,3-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 138959729
[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl] 2-phenylacetate
CID 21238567
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 723040
[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-dimethyl-propan-2-ylazanium
CID 6543364
3-[3-(3-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 5307270
1-(2,6-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol chloride
CID 21236664
3-[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 26011422
3-[3-[4-[2-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 2884368

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione (CID 750544) is 3-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione is C=CCc1ccccc1OC[C@@H](O)CN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 3-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is TYDOGTWUTRFOEM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-4-7-12-8-5-6-9-14(12)23-11-13(20)10-19-15(21)17(2,3)18-16(19)22/h4-6,8-9,13,20H,1,7,10-11H2,2-3H3,(H,18,22)/t13-/m0/s1.
What are the key properties of 3-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 318.37 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 750544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).