1-ethyl-4-(5-hydroxy-2-adamantyl)-5,5-dimethylimidazolidin-2-one

C17H28N2O2 — CID 68907576

IUPAC1-ethyl-4-(5-hydroxy-2-adamantyl)-5,5-dimethylimidazolidin-2-one
SMILESCCN1C(=O)NC(C2C3CC4CC2CC(O)(C4)C3)C1(C)C
InChIInChI=1S/C17H28N2O2/c1-4-19-15(20)18-14(16(19,2)3)13-11-5-10-6-12(13)9-17(21,7-10)8-11/h10-14,21H,4-9H2,1-3H3,(H,18,20)
InChIKeyURXHXZZESDUHAX-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.37
Rot. Bonds2

About 1-ethyl-4-(5-hydroxy-2-adamantyl)-5,5-dimethylimidazolidin-2-one

1-ethyl-4-(5-hydroxy-2-adamantyl)-5,5-dimethylimidazolidin-2-one (PubChem CID 68907576) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-ethyl-4-(5-hydroxy-2-adamantyl)-5,5-dimethylimidazolidin-2-one.

Molecular Properties

Compound Name1-ethyl-4-(5-hydroxy-2-adamantyl)-5,5-dimethylimidazolidin-2-one
PubChem CID68907576
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-ethyl-4-(5-hydroxy-2-adamantyl)-5,5-dimethylimidazolidin-2-one
SMILESCCN1C(=O)NC(C2C3CC4CC2CC(O)(C4)C3)C1(C)C
InChIInChI=1S/C17H28N2O2/c1-4-19-15(20)18-14(16(19,2)3)13-11-5-10-6-12(13)9-17(21,7-10)8-11/h10-14,21H,4-9H2,1-3H3,(H,18,20)
InChIKeyURXHXZZESDUHAX-UHFFFAOYSA-N
XLogP2.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(5-hydroxy-2-adamantyl)-5,5-dimethylimidazolidin-2-one?
The IUPAC name of 1-ethyl-4-(5-hydroxy-2-adamantyl)-5,5-dimethylimidazolidin-2-one (CID 68907576) is 1-ethyl-4-(5-hydroxy-2-adamantyl)-5,5-dimethylimidazolidin-2-one.
What is the SMILES notation for 1-ethyl-4-(5-hydroxy-2-adamantyl)-5,5-dimethylimidazolidin-2-one?
The canonical SMILES for 1-ethyl-4-(5-hydroxy-2-adamantyl)-5,5-dimethylimidazolidin-2-one is CCN1C(=O)NC(C2C3CC4CC2CC(O)(C4)C3)C1(C)C.
What is the InChIKey of 1-ethyl-4-(5-hydroxy-2-adamantyl)-5,5-dimethylimidazolidin-2-one?
The InChIKey is URXHXZZESDUHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-19-15(20)18-14(16(19,2)3)13-11-5-10-6-12(13)9-17(21,7-10)8-11/h10-14,21H,4-9H2,1-3H3,(H,18,20).
What are the key properties of 1-ethyl-4-(5-hydroxy-2-adamantyl)-5,5-dimethylimidazolidin-2-one?
1-ethyl-4-(5-hydroxy-2-adamantyl)-5,5-dimethylimidazolidin-2-one has a molecular weight of 292.42 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(5-hydroxy-2-adamantyl)-5,5-dimethylimidazolidin-2-one is sourced from PubChem (CID 68907576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).