5-butan-2-yl-2-ethyl-3-octan-2-ylimidazolidin-4-one

C17H34N2O — CID 83248188

IUPAC5-butan-2-yl-2-ethyl-3-octan-2-ylimidazolidin-4-one
SMILESCCCCCCC(C)N1C(=O)C(C(C)CC)NC1CC
InChIInChI=1S/C17H34N2O/c1-6-9-10-11-12-14(5)19-15(8-3)18-16(17(19)20)13(4)7-2/h13-16,18H,6-12H2,1-5H3
InChIKeyMGJZHUCTEGXSRX-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.93
Rot. Bonds9

About 5-butan-2-yl-2-ethyl-3-octan-2-ylimidazolidin-4-one

5-butan-2-yl-2-ethyl-3-octan-2-ylimidazolidin-4-one (PubChem CID 83248188) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 5-butan-2-yl-2-ethyl-3-octan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-2-ethyl-3-octan-2-ylimidazolidin-4-one
PubChem CID83248188
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name5-butan-2-yl-2-ethyl-3-octan-2-ylimidazolidin-4-one
SMILESCCCCCCC(C)N1C(=O)C(C(C)CC)NC1CC
InChIInChI=1S/C17H34N2O/c1-6-9-10-11-12-14(5)19-15(8-3)18-16(17(19)20)13(4)7-2/h13-16,18H,6-12H2,1-5H3
InChIKeyMGJZHUCTEGXSRX-UHFFFAOYSA-N
XLogP3.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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

5-butan-2-yl-3-[1-(dimethylamino)propan-2-yl]-2-ethylimidazolidin-4-one
CID 83260616
5-butan-2-yl-3-(5-methylhexan-2-yl)-2-propylimidazolidin-4-one
CID 83263112
5-butan-2-yl-2-methyl-3-(6-methylheptan-2-yl)imidazolidin-4-one
CID 83252330
5-butan-2-yl-3-pentan-3-yl-2-propylimidazolidin-4-one
CID 83241971
5-butan-2-yl-3-(1-methylsulfonylpropan-2-yl)-2-propylimidazolidin-4-one
CID 83262835
5-butan-2-yl-2-ethyl-3-(1-morpholin-4-ylpropan-2-yl)imidazolidin-4-one
CID 83253115
2-ethyl-3-(4-methoxybutan-2-yl)-5-propan-2-ylimidazolidin-4-one
CID 83259163
5-butan-2-yl-3-(1-ethoxypropan-2-yl)-2-propylimidazolidin-4-one
CID 83247716
2-(2-methylpropyl)-3-octan-2-yl-5-propylimidazolidin-4-one
CID 83248176
5-butan-2-yl-2-(2-methylpropyl)-3-pentylimidazolidin-4-one
CID 83250722
5-butan-2-yl-3-(5-methylhexan-2-yl)-2-propan-2-ylimidazolidin-4-one
CID 83264562
5-butan-2-yl-2-ethyl-3-[1-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83243866

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-ethyl-3-octan-2-ylimidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-2-ethyl-3-octan-2-ylimidazolidin-4-one (CID 83248188) is 5-butan-2-yl-2-ethyl-3-octan-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-2-ethyl-3-octan-2-ylimidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-2-ethyl-3-octan-2-ylimidazolidin-4-one is CCCCCCC(C)N1C(=O)C(C(C)CC)NC1CC.
What is the InChIKey of 5-butan-2-yl-2-ethyl-3-octan-2-ylimidazolidin-4-one?
The InChIKey is MGJZHUCTEGXSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-6-9-10-11-12-14(5)19-15(8-3)18-16(17(19)20)13(4)7-2/h13-16,18H,6-12H2,1-5H3.
What are the key properties of 5-butan-2-yl-2-ethyl-3-octan-2-ylimidazolidin-4-one?
5-butan-2-yl-2-ethyl-3-octan-2-ylimidazolidin-4-one has a molecular weight of 282.47 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-ethyl-3-octan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83248188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).