5-ethyl-2-(2-methylpropyl)-3-octylimidazolidin-4-one

C17H34N2O — CID 83260459

IUPAC5-ethyl-2-(2-methylpropyl)-3-octylimidazolidin-4-one
SMILESCCCCCCCCN1C(=O)C(CC)NC1CC(C)C
InChIInChI=1S/C17H34N2O/c1-5-7-8-9-10-11-12-19-16(13-14(3)4)18-15(6-2)17(19)20/h14-16,18H,5-13H2,1-4H3
InChIKeyDQSDJVNYMNDFPS-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.93
Rot. Bonds10

About 5-ethyl-2-(2-methylpropyl)-3-octylimidazolidin-4-one

5-ethyl-2-(2-methylpropyl)-3-octylimidazolidin-4-one (PubChem CID 83260459) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 5-ethyl-2-(2-methylpropyl)-3-octylimidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-2-(2-methylpropyl)-3-octylimidazolidin-4-one
PubChem CID83260459
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name5-ethyl-2-(2-methylpropyl)-3-octylimidazolidin-4-one
SMILESCCCCCCCCN1C(=O)C(CC)NC1CC(C)C
InChIInChI=1S/C17H34N2O/c1-5-7-8-9-10-11-12-19-16(13-14(3)4)18-15(6-2)17(19)20/h14-16,18H,5-13H2,1-4H3
InChIKeyDQSDJVNYMNDFPS-UHFFFAOYSA-N
XLogP3.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.93
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

2-ethyl-5-(2-methylpropyl)-3-octylimidazolidin-4-one
CID 83260834
3-hexyl-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83265031
5-ethyl-2-(2-methylpropyl)-3-(3-propoxypropyl)imidazolidin-4-one
CID 83260919
5-ethyl-2-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one
CID 83244799
2,5-diethyl-3-(7-methyloctyl)imidazolidin-4-one
CID 107819252
5-ethyl-2-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
CID 104767635
5-butan-2-yl-2-(2-methylpropyl)-3-pentylimidazolidin-4-one
CID 83250722
5-ethyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-2-(2-methylpropyl)imidazolidin-4-one
CID 83253081
3-(4-methylpentyl)-2,5-bis(2-methylpropyl)imidazolidin-4-one
CID 83254863
2-(2-methylpropyl)-3,5-dipropylimidazolidin-4-one
CID 83242530
3-ethyl-6-(2-methylpropyl)-1-pentylpiperazine-2,5-dione
CID 64901650
5-ethyl-3-[2-(3-methylbutoxy)ethyl]-2-(2-methylpropyl)imidazolidin-4-one
CID 83253960

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2-methylpropyl)-3-octylimidazolidin-4-one?
The IUPAC name of 5-ethyl-2-(2-methylpropyl)-3-octylimidazolidin-4-one (CID 83260459) is 5-ethyl-2-(2-methylpropyl)-3-octylimidazolidin-4-one.
What is the SMILES notation for 5-ethyl-2-(2-methylpropyl)-3-octylimidazolidin-4-one?
The canonical SMILES for 5-ethyl-2-(2-methylpropyl)-3-octylimidazolidin-4-one is CCCCCCCCN1C(=O)C(CC)NC1CC(C)C.
What is the InChIKey of 5-ethyl-2-(2-methylpropyl)-3-octylimidazolidin-4-one?
The InChIKey is DQSDJVNYMNDFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-5-7-8-9-10-11-12-19-16(13-14(3)4)18-15(6-2)17(19)20/h14-16,18H,5-13H2,1-4H3.
What are the key properties of 5-ethyl-2-(2-methylpropyl)-3-octylimidazolidin-4-one?
5-ethyl-2-(2-methylpropyl)-3-octylimidazolidin-4-one has a molecular weight of 282.47 g/mol, XLogP of 3.93, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-methylpropyl)-3-octylimidazolidin-4-one is sourced from PubChem (CID 83260459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).