3-(2-cyclohexyloxyethyl)-5-propan-2-ylimidazolidin-4-one

C14H26N2O2 — CID 83263545

IUPAC3-(2-cyclohexyloxyethyl)-5-propan-2-ylimidazolidin-4-one
SMILESCC(C)C1NCN(CCOC2CCCCC2)C1=O
InChIInChI=1S/C14H26N2O2/c1-11(2)13-14(17)16(10-15-13)8-9-18-12-6-4-3-5-7-12/h11-13,15H,3-10H2,1-2H3
InChIKeyBZTVYTRRWCBXKO-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.75
Rot. Bonds5

About 3-(2-cyclohexyloxyethyl)-5-propan-2-ylimidazolidin-4-one

3-(2-cyclohexyloxyethyl)-5-propan-2-ylimidazolidin-4-one (PubChem CID 83263545) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-(2-cyclohexyloxyethyl)-5-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2-cyclohexyloxyethyl)-5-propan-2-ylimidazolidin-4-one
PubChem CID83263545
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-(2-cyclohexyloxyethyl)-5-propan-2-ylimidazolidin-4-one
SMILESCC(C)C1NCN(CCOC2CCCCC2)C1=O
InChIInChI=1S/C14H26N2O2/c1-11(2)13-14(17)16(10-15-13)8-9-18-12-6-4-3-5-7-12/h11-13,15H,3-10H2,1-2H3
InChIKeyBZTVYTRRWCBXKO-UHFFFAOYSA-N
XLogP1.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexyloxyethyl)-5-propan-2-ylimidazolidin-4-one?
The IUPAC name of 3-(2-cyclohexyloxyethyl)-5-propan-2-ylimidazolidin-4-one (CID 83263545) is 3-(2-cyclohexyloxyethyl)-5-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-(2-cyclohexyloxyethyl)-5-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 3-(2-cyclohexyloxyethyl)-5-propan-2-ylimidazolidin-4-one is CC(C)C1NCN(CCOC2CCCCC2)C1=O.
What is the InChIKey of 3-(2-cyclohexyloxyethyl)-5-propan-2-ylimidazolidin-4-one?
The InChIKey is BZTVYTRRWCBXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11(2)13-14(17)16(10-15-13)8-9-18-12-6-4-3-5-7-12/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 3-(2-cyclohexyloxyethyl)-5-propan-2-ylimidazolidin-4-one?
3-(2-cyclohexyloxyethyl)-5-propan-2-ylimidazolidin-4-one has a molecular weight of 254.37 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexyloxyethyl)-5-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83263545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).