3-(3-butoxy-2-hydroxypropyl)-5,5-dimethylimidazolidine-2,4-dione

C12H22N2O4 — CID 21238524

IUPAC3-(3-butoxy-2-hydroxypropyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCCCCOCC(O)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C12H22N2O4/c1-4-5-6-18-8-9(15)7-14-10(16)12(2,3)13-11(14)17/h9,15H,4-8H2,1-3H3,(H,13,17)
InChIKeyKRUSLZBZZDOSPH-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.49
Rot. Bonds7

About 3-(3-butoxy-2-hydroxypropyl)-5,5-dimethylimidazolidine-2,4-dione

3-(3-butoxy-2-hydroxypropyl)-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 21238524) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(3-butoxy-2-hydroxypropyl)-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-butoxy-2-hydroxypropyl)-5,5-dimethylimidazolidine-2,4-dione
PubChem CID21238524
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name3-(3-butoxy-2-hydroxypropyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCCCCOCC(O)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C12H22N2O4/c1-4-5-6-18-8-9(15)7-14-10(16)12(2,3)13-11(14)17/h9,15H,4-8H2,1-3H3,(H,13,17)
InChIKeyKRUSLZBZZDOSPH-UHFFFAOYSA-N
XLogP0.49
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-butoxy-2-hydroxypropyl)-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-(3-butoxy-2-hydroxypropyl)-5,5-dimethylimidazolidine-2,4-dione (CID 21238524) is 3-(3-butoxy-2-hydroxypropyl)-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(3-butoxy-2-hydroxypropyl)-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-(3-butoxy-2-hydroxypropyl)-5,5-dimethylimidazolidine-2,4-dione is CCCCOCC(O)CN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 3-(3-butoxy-2-hydroxypropyl)-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is KRUSLZBZZDOSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-4-5-6-18-8-9(15)7-14-10(16)12(2,3)13-11(14)17/h9,15H,4-8H2,1-3H3,(H,13,17).
What are the key properties of 3-(3-butoxy-2-hydroxypropyl)-5,5-dimethylimidazolidine-2,4-dione?
3-(3-butoxy-2-hydroxypropyl)-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 258.32 g/mol, XLogP of 0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butoxy-2-hydroxypropyl)-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 21238524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).