1-(1-adamantyl)-3-ethylimidazolidine-2,4,5-trione

C15H20N2O3 — CID 92519158

IUPAC1-(1-adamantyl)-3-ethylimidazolidine-2,4,5-trione
SMILESCCN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O
InChIInChI=1S/C15H20N2O3/c1-2-16-12(18)13(19)17(14(16)20)15-6-9-3-10(7-15)5-11(4-9)8-15/h9-11H,2-8H2,1H3
InChIKeyRMASCOLNYUGLHH-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.77
Rot. Bonds2

About 1-(1-adamantyl)-3-ethylimidazolidine-2,4,5-trione

1-(1-adamantyl)-3-ethylimidazolidine-2,4,5-trione (PubChem CID 92519158) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-ethylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(1-adamantyl)-3-ethylimidazolidine-2,4,5-trione
PubChem CID92519158
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-(1-adamantyl)-3-ethylimidazolidine-2,4,5-trione
SMILESCCN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O
InChIInChI=1S/C15H20N2O3/c1-2-16-12(18)13(19)17(14(16)20)15-6-9-3-10(7-15)5-11(4-9)8-15/h9-11H,2-8H2,1H3
InChIKeyRMASCOLNYUGLHH-UHFFFAOYSA-N
XLogP1.77
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-ethylimidazolidine-2,4,5-trione?
The IUPAC name of 1-(1-adamantyl)-3-ethylimidazolidine-2,4,5-trione (CID 92519158) is 1-(1-adamantyl)-3-ethylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(1-adamantyl)-3-ethylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-(1-adamantyl)-3-ethylimidazolidine-2,4,5-trione is CCN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O.
What is the InChIKey of 1-(1-adamantyl)-3-ethylimidazolidine-2,4,5-trione?
The InChIKey is RMASCOLNYUGLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-16-12(18)13(19)17(14(16)20)15-6-9-3-10(7-15)5-11(4-9)8-15/h9-11H,2-8H2,1H3.
What are the key properties of 1-(1-adamantyl)-3-ethylimidazolidine-2,4,5-trione?
1-(1-adamantyl)-3-ethylimidazolidine-2,4,5-trione has a molecular weight of 276.34 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-ethylimidazolidine-2,4,5-trione is sourced from PubChem (CID 92519158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).