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

C16H24N2O2 — CID 43630187

IUPAC3-(1-adamantyl)-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O
InChIInChI=1S/C16H24N2O2/c1-2-3-13-14(19)18(15(20)17-13)16-7-10-4-11(8-16)6-12(5-10)9-16/h10-13H,2-9H2,1H3,(H,17,20)
InChIKeyRWXUIQNIMJTSGS-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.68
Rot. Bonds3

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

3-(1-adamantyl)-5-propylimidazolidine-2,4-dione (PubChem CID 43630187) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(1-adamantyl)-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(1-adamantyl)-5-propylimidazolidine-2,4-dione
PubChem CID43630187
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-(1-adamantyl)-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O
InChIInChI=1S/C16H24N2O2/c1-2-3-13-14(19)18(15(20)17-13)16-7-10-4-11(8-16)6-12(5-10)9-16/h10-13H,2-9H2,1H3,(H,17,20)
InChIKeyRWXUIQNIMJTSGS-UHFFFAOYSA-N
XLogP2.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-1-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64872566
1-cyclopropyl-6-methyl-3-propylpiperazine-2,5-dione
CID 64958390
1-(3,3-dimethylbutan-2-yl)-3-propylpiperazine-2,5-dione
CID 104830282
5-propylimidazolidine-2,4-dione
CID 567619
3-(2-chloroethyl)-5-propylimidazolidine-2,4-dione
CID 43135563
1-(2-methylcyclopropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64969350
1-(4,4-dimethylcyclohexyl)-3-propylpiperazine-2,5-dione
CID 64972911
1-cyclobutyl-6-methyl-3-propylpiperazine-2,5-dione
CID 64969413
3-(2-cyclopropyl-2-oxoethyl)-5-propylimidazolidine-2,4-dione
CID 63912854
1,3,6-tripropylpiperazine-2,5-dione
CID 64873955
3-prop-2-enyl-5-propylimidazolidine-2,4-dione
CID 170447663
1-(1-adamantyl)-1,3-diazinane-2,4,6-trione
CID 112597692

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)-5-propylimidazolidine-2,4-dione?
The IUPAC name of 3-(1-adamantyl)-5-propylimidazolidine-2,4-dione (CID 43630187) is 3-(1-adamantyl)-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(1-adamantyl)-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 3-(1-adamantyl)-5-propylimidazolidine-2,4-dione is CCCC1NC(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O.
What is the InChIKey of 3-(1-adamantyl)-5-propylimidazolidine-2,4-dione?
The InChIKey is RWXUIQNIMJTSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-3-13-14(19)18(15(20)17-13)16-7-10-4-11(8-16)6-12(5-10)9-16/h10-13H,2-9H2,1H3,(H,17,20).
What are the key properties of 3-(1-adamantyl)-5-propylimidazolidine-2,4-dione?
3-(1-adamantyl)-5-propylimidazolidine-2,4-dione has a molecular weight of 276.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 43630187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).