1-ethyl-3-(4-ethyl-4-methylhexyl)imidazolidine-2,4-dione

C14H26N2O2 — CID 59111010

IUPAC1-ethyl-3-(4-ethyl-4-methylhexyl)imidazolidine-2,4-dione
SMILESCCN1CC(=O)N(CCCC(C)(CC)CC)C1=O
InChIInChI=1S/C14H26N2O2/c1-5-14(4,6-2)9-8-10-16-12(17)11-15(7-3)13(16)18/h5-11H2,1-4H3
InChIKeyRUPCOQSCAHIGCF-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.88
Rot. Bonds7

About 1-ethyl-3-(4-ethyl-4-methylhexyl)imidazolidine-2,4-dione

1-ethyl-3-(4-ethyl-4-methylhexyl)imidazolidine-2,4-dione (PubChem CID 59111010) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-ethyl-3-(4-ethyl-4-methylhexyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3-(4-ethyl-4-methylhexyl)imidazolidine-2,4-dione
PubChem CID59111010
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-ethyl-3-(4-ethyl-4-methylhexyl)imidazolidine-2,4-dione
SMILESCCN1CC(=O)N(CCCC(C)(CC)CC)C1=O
InChIInChI=1S/C14H26N2O2/c1-5-14(4,6-2)9-8-10-16-12(17)11-15(7-3)13(16)18/h5-11H2,1-4H3
InChIKeyRUPCOQSCAHIGCF-UHFFFAOYSA-N
XLogP2.88
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-ethyl-4-methylhexyl)imidazolidine-2,4-dione?
The IUPAC name of 1-ethyl-3-(4-ethyl-4-methylhexyl)imidazolidine-2,4-dione (CID 59111010) is 1-ethyl-3-(4-ethyl-4-methylhexyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-ethyl-3-(4-ethyl-4-methylhexyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-ethyl-3-(4-ethyl-4-methylhexyl)imidazolidine-2,4-dione is CCN1CC(=O)N(CCCC(C)(CC)CC)C1=O.
What is the InChIKey of 1-ethyl-3-(4-ethyl-4-methylhexyl)imidazolidine-2,4-dione?
The InChIKey is RUPCOQSCAHIGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-5-14(4,6-2)9-8-10-16-12(17)11-15(7-3)13(16)18/h5-11H2,1-4H3.
What are the key properties of 1-ethyl-3-(4-ethyl-4-methylhexyl)imidazolidine-2,4-dione?
1-ethyl-3-(4-ethyl-4-methylhexyl)imidazolidine-2,4-dione has a molecular weight of 254.37 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-ethyl-4-methylhexyl)imidazolidine-2,4-dione is sourced from PubChem (CID 59111010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).