5-ethyl-5-methyl-3-(5-methylhexyl)-2-(2-methylpropyl)imidazolidin-4-one

C17H34N2O — CID 83260603

IUPAC5-ethyl-5-methyl-3-(5-methylhexyl)-2-(2-methylpropyl)imidazolidin-4-one
SMILESCCC1(C)NC(CC(C)C)N(CCCCC(C)C)C1=O
InChIInChI=1S/C17H34N2O/c1-7-17(6)16(20)19(11-9-8-10-13(2)3)15(18-17)12-14(4)5/h13-15,18H,7-12H2,1-6H3
InChIKeyJMMDODJDCJNGTJ-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.79
Rot. Bonds8

About 5-ethyl-5-methyl-3-(5-methylhexyl)-2-(2-methylpropyl)imidazolidin-4-one

5-ethyl-5-methyl-3-(5-methylhexyl)-2-(2-methylpropyl)imidazolidin-4-one (PubChem CID 83260603) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 5-ethyl-5-methyl-3-(5-methylhexyl)-2-(2-methylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-5-methyl-3-(5-methylhexyl)-2-(2-methylpropyl)imidazolidin-4-one
PubChem CID83260603
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name5-ethyl-5-methyl-3-(5-methylhexyl)-2-(2-methylpropyl)imidazolidin-4-one
SMILESCCC1(C)NC(CC(C)C)N(CCCCC(C)C)C1=O
InChIInChI=1S/C17H34N2O/c1-7-17(6)16(20)19(11-9-8-10-13(2)3)15(18-17)12-14(4)5/h13-15,18H,7-12H2,1-6H3
InChIKeyJMMDODJDCJNGTJ-UHFFFAOYSA-N
XLogP3.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.79
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

5-ethyl-2,5-dimethyl-3-(5-methylhexyl)imidazolidin-4-one
CID 83260814
5-ethyl-5-methyl-3-(4-methylpentyl)-2-propylimidazolidin-4-one
CID 83255455
5-ethyl-5-methyl-2-(2-methylpropyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83258114
5-ethyl-5-methyl-2-(2-methylpropyl)-3-(2,3,3-trimethylbutyl)imidazolidin-4-one
CID 83260128
6-(7-methyloctyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 107819249
2,5-diethyl-5-methyl-3-octylimidazolidin-4-one
CID 83260188
3-ethyl-3-methyl-1-(5-methylhexyl)-6-propan-2-ylpiperazine-2,5-dione
CID 115327146
5-ethyl-3-(3-methoxy-2-methylpropyl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83249392
5-(2-methylpropyl)-6-octyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83260540
3-ethyl-3,7-dimethyl-1-(4-methylpentyl)-1,4-diazepane-2,5-dione
CID 83168869
3-(3-cyclopentylpropyl)-2,5-diethyl-5-methylimidazolidin-4-one
CID 106011271
5-ethyl-2,5-dimethyl-3-[3-[methyl(propan-2-yl)amino]propyl]imidazolidin-4-one
CID 114140888

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-3-(5-methylhexyl)-2-(2-methylpropyl)imidazolidin-4-one?
The IUPAC name of 5-ethyl-5-methyl-3-(5-methylhexyl)-2-(2-methylpropyl)imidazolidin-4-one (CID 83260603) is 5-ethyl-5-methyl-3-(5-methylhexyl)-2-(2-methylpropyl)imidazolidin-4-one.
What is the SMILES notation for 5-ethyl-5-methyl-3-(5-methylhexyl)-2-(2-methylpropyl)imidazolidin-4-one?
The canonical SMILES for 5-ethyl-5-methyl-3-(5-methylhexyl)-2-(2-methylpropyl)imidazolidin-4-one is CCC1(C)NC(CC(C)C)N(CCCCC(C)C)C1=O.
What is the InChIKey of 5-ethyl-5-methyl-3-(5-methylhexyl)-2-(2-methylpropyl)imidazolidin-4-one?
The InChIKey is JMMDODJDCJNGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-7-17(6)16(20)19(11-9-8-10-13(2)3)15(18-17)12-14(4)5/h13-15,18H,7-12H2,1-6H3.
What are the key properties of 5-ethyl-5-methyl-3-(5-methylhexyl)-2-(2-methylpropyl)imidazolidin-4-one?
5-ethyl-5-methyl-3-(5-methylhexyl)-2-(2-methylpropyl)imidazolidin-4-one has a molecular weight of 282.47 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-3-(5-methylhexyl)-2-(2-methylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83260603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).