2,5-diethyl-5-methyl-3-octylimidazolidin-4-one

C16H32N2O — CID 83260188

IUPAC2,5-diethyl-5-methyl-3-octylimidazolidin-4-one
SMILESCCCCCCCCN1C(=O)C(C)(CC)NC1CC
InChIInChI=1S/C16H32N2O/c1-5-8-9-10-11-12-13-18-14(6-2)17-16(4,7-3)15(18)19/h14,17H,5-13H2,1-4H3
InChIKeyQMZREHQKWVPZKN-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.68
Rot. Bonds9

About 2,5-diethyl-5-methyl-3-octylimidazolidin-4-one

2,5-diethyl-5-methyl-3-octylimidazolidin-4-one (PubChem CID 83260188) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2,5-diethyl-5-methyl-3-octylimidazolidin-4-one.

Molecular Properties

Compound Name2,5-diethyl-5-methyl-3-octylimidazolidin-4-one
PubChem CID83260188
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2,5-diethyl-5-methyl-3-octylimidazolidin-4-one
SMILESCCCCCCCCN1C(=O)C(C)(CC)NC1CC
InChIInChI=1S/C16H32N2O/c1-5-8-9-10-11-12-13-18-14(6-2)17-16(4,7-3)15(18)19/h14,17H,5-13H2,1-4H3
InChIKeyQMZREHQKWVPZKN-UHFFFAOYSA-N
XLogP3.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-cyclopentylpropyl)-2,5-diethyl-5-methylimidazolidin-4-one
CID 106011271
2,5-diethyl-5-methyl-3-(2-methylsulfonylethyl)imidazolidin-4-one
CID 83256120
5-ethyl-5-methyl-3-(5-methylhexyl)-2-(2-methylpropyl)imidazolidin-4-one
CID 83260603
5-ethyl-5-methyl-3-(4-methylpentyl)-2-propylimidazolidin-4-one
CID 83255455
3-(2-cyclopentyloxyethyl)-2,5-diethyl-5-methylimidazolidin-4-one
CID 83257914
3-(2,2-dimethylpropyl)-2,5-diethyl-5-methylimidazolidin-4-one
CID 83255826
3-[2-(dimethylamino)propyl]-2,5-diethyl-5-methylimidazolidin-4-one
CID 83250197
5-ethyl-5-methyl-3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one
CID 83256448
5-ethyl-5-methyl-2-propyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
CID 83252241
5-ethyl-2,5-dimethyl-3-(5-methylhexyl)imidazolidin-4-one
CID 83260814
3-(2-cyclopropylpropyl)-2,5-diethyl-5-methylimidazolidin-4-one
CID 113476700
6-ethyl-3,3-dimethyl-1-octylpiperazine-2,5-dione
CID 64873815

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-5-methyl-3-octylimidazolidin-4-one?
The IUPAC name of 2,5-diethyl-5-methyl-3-octylimidazolidin-4-one (CID 83260188) is 2,5-diethyl-5-methyl-3-octylimidazolidin-4-one.
What is the SMILES notation for 2,5-diethyl-5-methyl-3-octylimidazolidin-4-one?
The canonical SMILES for 2,5-diethyl-5-methyl-3-octylimidazolidin-4-one is CCCCCCCCN1C(=O)C(C)(CC)NC1CC.
What is the InChIKey of 2,5-diethyl-5-methyl-3-octylimidazolidin-4-one?
The InChIKey is QMZREHQKWVPZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-5-8-9-10-11-12-13-18-14(6-2)17-16(4,7-3)15(18)19/h14,17H,5-13H2,1-4H3.
What are the key properties of 2,5-diethyl-5-methyl-3-octylimidazolidin-4-one?
2,5-diethyl-5-methyl-3-octylimidazolidin-4-one has a molecular weight of 268.44 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-5-methyl-3-octylimidazolidin-4-one is sourced from PubChem (CID 83260188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).