[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl] 2-(4-methylphenoxy)acetate

C17H22N2O6 — CID 21238579

IUPAC[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl] 2-(4-methylphenoxy)acetate
SMILESCc1ccc(OCC(=O)OCC(O)CN2C(=O)NC(C)(C)C2=O)cc1
InChIInChI=1S/C17H22N2O6/c1-11-4-6-13(7-5-11)24-10-14(21)25-9-12(20)8-19-15(22)17(2,3)18-16(19)23/h4-7,12,20H,8-10H2,1-3H3,(H,18,23)
InChIKeyWZNSKSBSMNUUCS-UHFFFAOYSA-N
MW350.37 g/mol
LogP0.61
Rot. Bonds7

About [3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl] 2-(4-methylphenoxy)acetate

[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl] 2-(4-methylphenoxy)acetate (PubChem CID 21238579) has the molecular formula C17H22N2O6 and a molecular weight of 350.37 g/mol. Its IUPAC name is [3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl] 2-(4-methylphenoxy)acetate.

Molecular Properties

Compound Name[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl] 2-(4-methylphenoxy)acetate
PubChem CID21238579
Molecular FormulaC17H22N2O6
Molecular Weight350.37 g/mol
Exact Mass350.15
IUPAC Name[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl] 2-(4-methylphenoxy)acetate
SMILESCc1ccc(OCC(=O)OCC(O)CN2C(=O)NC(C)(C)C2=O)cc1
InChIInChI=1S/C17H22N2O6/c1-11-4-6-13(7-5-11)24-10-14(21)25-9-12(20)8-19-15(22)17(2,3)18-16(19)23/h4-7,12,20H,8-10H2,1-3H3,(H,18,23)
InChIKeyWZNSKSBSMNUUCS-UHFFFAOYSA-N
XLogP0.61
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 769267
3-[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 26011422
[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl] 2-phenylacetate
CID 21238567
3-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 31569830
3-[(2S)-3-[4-[2-[4-[(2R)-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 92853467
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
3-[2-hydroxy-3-(4-methylphenoxy)propyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51222999
3-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 742840
3-[3-(3-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 5307270
(3aS,7aR)-2-[4-[(2S)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 1366141
N-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 1125455
(5R)-3-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 94389930

Frequently Asked Questions

What is the IUPAC name of [3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl] 2-(4-methylphenoxy)acetate?
The IUPAC name of [3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl] 2-(4-methylphenoxy)acetate (CID 21238579) is [3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl] 2-(4-methylphenoxy)acetate.
What is the SMILES notation for [3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl] 2-(4-methylphenoxy)acetate?
The canonical SMILES for [3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl] 2-(4-methylphenoxy)acetate is Cc1ccc(OCC(=O)OCC(O)CN2C(=O)NC(C)(C)C2=O)cc1.
What is the InChIKey of [3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl] 2-(4-methylphenoxy)acetate?
The InChIKey is WZNSKSBSMNUUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O6/c1-11-4-6-13(7-5-11)24-10-14(21)25-9-12(20)8-19-15(22)17(2,3)18-16(19)23/h4-7,12,20H,8-10H2,1-3H3,(H,18,23).
What are the key properties of [3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl] 2-(4-methylphenoxy)acetate?
[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl] 2-(4-methylphenoxy)acetate has a molecular weight of 350.37 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl] 2-(4-methylphenoxy)acetate is sourced from PubChem (CID 21238579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).