3-(5-methoxypentyl)-5,5-dimethylimidazolidine-2,4-dione

C11H20N2O3 — CID 70332716

IUPAC3-(5-methoxypentyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCOCCCCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C11H20N2O3/c1-11(2)9(14)13(10(15)12-11)7-5-4-6-8-16-3/h4-8H2,1-3H3,(H,12,15)
InChIKeySPLGIPLAAPWISA-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.13
Rot. Bonds6

About 3-(5-methoxypentyl)-5,5-dimethylimidazolidine-2,4-dione

3-(5-methoxypentyl)-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 70332716) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-(5-methoxypentyl)-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(5-methoxypentyl)-5,5-dimethylimidazolidine-2,4-dione
PubChem CID70332716
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-(5-methoxypentyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCOCCCCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C11H20N2O3/c1-11(2)9(14)13(10(15)12-11)7-5-4-6-8-16-3/h4-8H2,1-3H3,(H,12,15)
InChIKeySPLGIPLAAPWISA-UHFFFAOYSA-N
XLogP1.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(5-methoxypentyl)-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-(5-methoxypentyl)-5,5-dimethylimidazolidine-2,4-dione (CID 70332716) is 3-(5-methoxypentyl)-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(5-methoxypentyl)-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-(5-methoxypentyl)-5,5-dimethylimidazolidine-2,4-dione is COCCCCCN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 3-(5-methoxypentyl)-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is SPLGIPLAAPWISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2)9(14)13(10(15)12-11)7-5-4-6-8-16-3/h4-8H2,1-3H3,(H,12,15).
What are the key properties of 3-(5-methoxypentyl)-5,5-dimethylimidazolidine-2,4-dione?
3-(5-methoxypentyl)-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 228.29 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxypentyl)-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 70332716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).