3-(1-adamantyl)-5,5-dimethylimidazolidine-2,4-dione

C15H22N2O2 — CID 12517707

IUPAC3-(1-adamantyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O
InChIInChI=1S/C15H22N2O2/c1-14(2)12(18)17(13(19)16-14)15-6-9-3-10(7-15)5-11(4-9)8-15/h9-11H,3-8H2,1-2H3,(H,16,19)
InChIKeyPDOZCBUGTAPZAW-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.29
Rot. Bonds1

About 3-(1-adamantyl)-5,5-dimethylimidazolidine-2,4-dione

3-(1-adamantyl)-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 12517707) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(1-adamantyl)-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(1-adamantyl)-5,5-dimethylimidazolidine-2,4-dione
PubChem CID12517707
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(1-adamantyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O
InChIInChI=1S/C15H22N2O2/c1-14(2)12(18)17(13(19)16-14)15-6-9-3-10(7-15)5-11(4-9)8-15/h9-11H,3-8H2,1-2H3,(H,16,19)
InChIKeyPDOZCBUGTAPZAW-UHFFFAOYSA-N
XLogP2.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
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 3-(1-adamantyl)-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-(1-adamantyl)-5,5-dimethylimidazolidine-2,4-dione (CID 12517707) is 3-(1-adamantyl)-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(1-adamantyl)-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-(1-adamantyl)-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O.
What is the InChIKey of 3-(1-adamantyl)-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is PDOZCBUGTAPZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-14(2)12(18)17(13(19)16-14)15-6-9-3-10(7-15)5-11(4-9)8-15/h9-11H,3-8H2,1-2H3,(H,16,19).
What are the key properties of 3-(1-adamantyl)-5,5-dimethylimidazolidine-2,4-dione?
3-(1-adamantyl)-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 262.35 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 12517707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).