3-octan-4-yl-5-propan-2-yl-2-propylimidazolidin-4-one

C17H34N2O — CID 106021469

IUPAC3-octan-4-yl-5-propan-2-yl-2-propylimidazolidin-4-one
SMILESCCCCC(CCC)N1C(=O)C(C(C)C)NC1CCC
InChIInChI=1S/C17H34N2O/c1-6-9-12-14(10-7-2)19-15(11-8-3)18-16(13(4)5)17(19)20/h13-16,18H,6-12H2,1-5H3
InChIKeyLGNOWKKIPWBEQW-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.93
Rot. Bonds9

About 3-octan-4-yl-5-propan-2-yl-2-propylimidazolidin-4-one

3-octan-4-yl-5-propan-2-yl-2-propylimidazolidin-4-one (PubChem CID 106021469) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 3-octan-4-yl-5-propan-2-yl-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-octan-4-yl-5-propan-2-yl-2-propylimidazolidin-4-one
PubChem CID106021469
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name3-octan-4-yl-5-propan-2-yl-2-propylimidazolidin-4-one
SMILESCCCCC(CCC)N1C(=O)C(C(C)C)NC1CCC
InChIInChI=1S/C17H34N2O/c1-6-9-12-14(10-7-2)19-15(11-8-3)18-16(13(4)5)17(19)20/h13-16,18H,6-12H2,1-5H3
InChIKeyLGNOWKKIPWBEQW-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

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Related Compounds

5-butan-2-yl-3-pentan-3-yl-2-propylimidazolidin-4-one
CID 83241971
3-[1-(diethylamino)propan-2-yl]-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83249170
3-(7-methyloctyl)-5-propan-2-yl-2-propylimidazolidin-4-one
CID 107819269
2-(2-methylpropyl)-3-pentan-2-yl-5-propan-2-ylimidazolidin-4-one
CID 83238813
3-(5-methylhexyl)-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83260431
5-butan-2-yl-3-(1-cyclopropylbutan-2-yl)-2-propylimidazolidin-4-one
CID 83263556
3-pentan-2-yl-2,5-di(propan-2-yl)imidazolidin-4-one
CID 83238814
5-propan-2-yl-2-propyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazolidin-4-one
CID 83270816
3-(2,2-difluoroethyl)-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83271211
5-butan-2-yl-3-(5-methylhexan-2-yl)-2-propylimidazolidin-4-one
CID 83263112
3-pentan-2-yl-2,5-dipropylimidazolidin-4-one
CID 83238815
3-(2,4-dimethylcyclohexyl)-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83264222

Frequently Asked Questions

What is the IUPAC name of 3-octan-4-yl-5-propan-2-yl-2-propylimidazolidin-4-one?
The IUPAC name of 3-octan-4-yl-5-propan-2-yl-2-propylimidazolidin-4-one (CID 106021469) is 3-octan-4-yl-5-propan-2-yl-2-propylimidazolidin-4-one.
What is the SMILES notation for 3-octan-4-yl-5-propan-2-yl-2-propylimidazolidin-4-one?
The canonical SMILES for 3-octan-4-yl-5-propan-2-yl-2-propylimidazolidin-4-one is CCCCC(CCC)N1C(=O)C(C(C)C)NC1CCC.
What is the InChIKey of 3-octan-4-yl-5-propan-2-yl-2-propylimidazolidin-4-one?
The InChIKey is LGNOWKKIPWBEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-6-9-12-14(10-7-2)19-15(11-8-3)18-16(13(4)5)17(19)20/h13-16,18H,6-12H2,1-5H3.
What are the key properties of 3-octan-4-yl-5-propan-2-yl-2-propylimidazolidin-4-one?
3-octan-4-yl-5-propan-2-yl-2-propylimidazolidin-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 3-octan-4-yl-5-propan-2-yl-2-propylimidazolidin-4-one is sourced from PubChem (CID 106021469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).