5-ethyl-1-(3-methoxy-3-methylbutyl)-5-methylimidazolidine-2,4-dione

C12H22N2O3 — CID 103037388

IUPAC5-ethyl-1-(3-methoxy-3-methylbutyl)-5-methylimidazolidine-2,4-dione
SMILESCCC1(C)C(=O)NC(=O)N1CCC(C)(C)OC
InChIInChI=1S/C12H22N2O3/c1-6-12(4)9(15)13-10(16)14(12)8-7-11(2,3)17-5/h6-8H2,1-5H3,(H,13,15,16)
InChIKeyCSUXBPQBZRLTRI-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.52
Rot. Bonds5

About 5-ethyl-1-(3-methoxy-3-methylbutyl)-5-methylimidazolidine-2,4-dione

5-ethyl-1-(3-methoxy-3-methylbutyl)-5-methylimidazolidine-2,4-dione (PubChem CID 103037388) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-ethyl-1-(3-methoxy-3-methylbutyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-(3-methoxy-3-methylbutyl)-5-methylimidazolidine-2,4-dione
PubChem CID103037388
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name5-ethyl-1-(3-methoxy-3-methylbutyl)-5-methylimidazolidine-2,4-dione
SMILESCCC1(C)C(=O)NC(=O)N1CCC(C)(C)OC
InChIInChI=1S/C12H22N2O3/c1-6-12(4)9(15)13-10(16)14(12)8-7-11(2,3)17-5/h6-8H2,1-5H3,(H,13,15,16)
InChIKeyCSUXBPQBZRLTRI-UHFFFAOYSA-N
XLogP1.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(3-methoxy-3-methylbutyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-1-(3-methoxy-3-methylbutyl)-5-methylimidazolidine-2,4-dione (CID 103037388) is 5-ethyl-1-(3-methoxy-3-methylbutyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-(3-methoxy-3-methylbutyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-(3-methoxy-3-methylbutyl)-5-methylimidazolidine-2,4-dione is CCC1(C)C(=O)NC(=O)N1CCC(C)(C)OC.
What is the InChIKey of 5-ethyl-1-(3-methoxy-3-methylbutyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is CSUXBPQBZRLTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-6-12(4)9(15)13-10(16)14(12)8-7-11(2,3)17-5/h6-8H2,1-5H3,(H,13,15,16).
What are the key properties of 5-ethyl-1-(3-methoxy-3-methylbutyl)-5-methylimidazolidine-2,4-dione?
5-ethyl-1-(3-methoxy-3-methylbutyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 242.32 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(3-methoxy-3-methylbutyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 103037388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).