3-[2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]-5-propylimidazolidine-2,4-dione

C23H36N2O4 — CID 42942556

IUPAC3-[2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(CC(O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)C1=O
InChIInChI=1S/C23H36N2O4/c1-7-8-19-20(27)25(21(28)24-19)13-17(26)14-29-18-11-9-16(10-12-18)23(5,6)15-22(2,3)4/h9-12,17,19,26H,7-8,13-15H2,1-6H3,(H,24,28)
InChIKeyOSVJXWDUASBJFA-UHFFFAOYSA-N
MW404.55 g/mol
LogP3.86
Rot. Bonds9

About 3-[2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]-5-propylimidazolidine-2,4-dione

3-[2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]-5-propylimidazolidine-2,4-dione (PubChem CID 42942556) has the molecular formula C23H36N2O4 and a molecular weight of 404.55 g/mol. Its IUPAC name is 3-[2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]-5-propylimidazolidine-2,4-dione
PubChem CID42942556
Molecular FormulaC23H36N2O4
Molecular Weight404.55 g/mol
Exact Mass404.27
IUPAC Name3-[2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(CC(O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)C1=O
InChIInChI=1S/C23H36N2O4/c1-7-8-19-20(27)25(21(28)24-19)13-17(26)14-29-18-11-9-16(10-12-18)23(5,6)15-22(2,3)4/h9-12,17,19,26H,7-8,13-15H2,1-6H3,(H,24,28)
InChIKeyOSVJXWDUASBJFA-UHFFFAOYSA-N
XLogP3.86
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]-5-propylimidazolidine-2,4-dione with MolForge

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Related Compounds

(5S)-3-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-5-prop-2-ynylimidazolidine-2,4-dione
CID 100632219
ethyl 3-[3-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-hydroxypropoxy]benzoate
CID 42942558
(5S)-3-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 31570523
(5R)-3-[(2R)-3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 31570526
(5S)-3-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 31570548
1-(diethylamino)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol
CID 18807375
1-(azepan-1-yl)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol
CID 18807362
[(2R)-2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]-trimethylazanium
CID 27532172
5-benzyl-3-[2-hydroxy-3-(4-methoxyphenoxy)propyl]imidazolidine-2,4-dione
CID 17489169
ethyl-[2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]-dimethylazanium
CID 43842249
3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 55410209
1-(2,2,6,6-tetramethylpiperidin-1-yl)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol
CID 18807376

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]-5-propylimidazolidine-2,4-dione (CID 42942556) is 3-[2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]-5-propylimidazolidine-2,4-dione is CCCC1NC(=O)N(CC(O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)C1=O.
What is the InChIKey of 3-[2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]-5-propylimidazolidine-2,4-dione?
The InChIKey is OSVJXWDUASBJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O4/c1-7-8-19-20(27)25(21(28)24-19)13-17(26)14-29-18-11-9-16(10-12-18)23(5,6)15-22(2,3)4/h9-12,17,19,26H,7-8,13-15H2,1-6H3,(H,24,28).
What are the key properties of 3-[2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]-5-propylimidazolidine-2,4-dione?
3-[2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]-5-propylimidazolidine-2,4-dione has a molecular weight of 404.55 g/mol, XLogP of 3.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 42942556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).