3-(2-cyclohexylethyl)-4,4-dimethyl-1-propan-2-ylimidazolidin-2-one

C16H30N2O — CID 21025481

IUPAC3-(2-cyclohexylethyl)-4,4-dimethyl-1-propan-2-ylimidazolidin-2-one
SMILESCC(C)N1CC(C)(C)N(CCC2CCCCC2)C1=O
InChIInChI=1S/C16H30N2O/c1-13(2)17-12-16(3,4)18(15(17)19)11-10-14-8-6-5-7-9-14/h13-14H,5-12H2,1-4H3
InChIKeySOGAETAIZUUDDI-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.88
Rot. Bonds4

About 3-(2-cyclohexylethyl)-4,4-dimethyl-1-propan-2-ylimidazolidin-2-one

3-(2-cyclohexylethyl)-4,4-dimethyl-1-propan-2-ylimidazolidin-2-one (PubChem CID 21025481) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-(2-cyclohexylethyl)-4,4-dimethyl-1-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name3-(2-cyclohexylethyl)-4,4-dimethyl-1-propan-2-ylimidazolidin-2-one
PubChem CID21025481
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name3-(2-cyclohexylethyl)-4,4-dimethyl-1-propan-2-ylimidazolidin-2-one
SMILESCC(C)N1CC(C)(C)N(CCC2CCCCC2)C1=O
InChIInChI=1S/C16H30N2O/c1-13(2)17-12-16(3,4)18(15(17)19)11-10-14-8-6-5-7-9-14/h13-14H,5-12H2,1-4H3
InChIKeySOGAETAIZUUDDI-UHFFFAOYSA-N
XLogP3.88
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexylethyl)-4,4-dimethyl-1-propan-2-ylimidazolidin-2-one?
The IUPAC name of 3-(2-cyclohexylethyl)-4,4-dimethyl-1-propan-2-ylimidazolidin-2-one (CID 21025481) is 3-(2-cyclohexylethyl)-4,4-dimethyl-1-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 3-(2-cyclohexylethyl)-4,4-dimethyl-1-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 3-(2-cyclohexylethyl)-4,4-dimethyl-1-propan-2-ylimidazolidin-2-one is CC(C)N1CC(C)(C)N(CCC2CCCCC2)C1=O.
What is the InChIKey of 3-(2-cyclohexylethyl)-4,4-dimethyl-1-propan-2-ylimidazolidin-2-one?
The InChIKey is SOGAETAIZUUDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-13(2)17-12-16(3,4)18(15(17)19)11-10-14-8-6-5-7-9-14/h13-14H,5-12H2,1-4H3.
What are the key properties of 3-(2-cyclohexylethyl)-4,4-dimethyl-1-propan-2-ylimidazolidin-2-one?
3-(2-cyclohexylethyl)-4,4-dimethyl-1-propan-2-ylimidazolidin-2-one has a molecular weight of 266.43 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylethyl)-4,4-dimethyl-1-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 21025481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).