2-(2-methylpropyl)-3-octan-2-yl-5-propylimidazolidin-4-one

C18H36N2O — CID 83248176

IUPAC2-(2-methylpropyl)-3-octan-2-yl-5-propylimidazolidin-4-one
SMILESCCCCCCC(C)N1C(=O)C(CCC)NC1CC(C)C
InChIInChI=1S/C18H36N2O/c1-6-8-9-10-12-15(5)20-17(13-14(3)4)19-16(11-7-2)18(20)21/h14-17,19H,6-13H2,1-5H3
InChIKeyQBQJAUOHTQYVMX-UHFFFAOYSA-N
MW296.50 g/mol
LogP4.32
Rot. Bonds10

About 2-(2-methylpropyl)-3-octan-2-yl-5-propylimidazolidin-4-one

2-(2-methylpropyl)-3-octan-2-yl-5-propylimidazolidin-4-one (PubChem CID 83248176) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3-octan-2-yl-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-3-octan-2-yl-5-propylimidazolidin-4-one
PubChem CID83248176
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name2-(2-methylpropyl)-3-octan-2-yl-5-propylimidazolidin-4-one
SMILESCCCCCCC(C)N1C(=O)C(CCC)NC1CC(C)C
InChIInChI=1S/C18H36N2O/c1-6-8-9-10-12-15(5)20-17(13-14(3)4)19-16(11-7-2)18(20)21/h14-17,19H,6-13H2,1-5H3
InChIKeyQBQJAUOHTQYVMX-UHFFFAOYSA-N
XLogP4.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 54.32
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-(2-methylpropyl)-3-pentan-3-yl-5-propylimidazolidin-4-one
CID 83242841
3-(4-methylhexan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one
CID 83264410
5-butyl-2-(2-methylpropyl)-3-pentan-3-ylimidazolidin-4-one
CID 83243202
3-pentan-2-yl-2,5-dipropylimidazolidin-4-one
CID 83238815
3-(1-methoxypentan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one
CID 83262701
2-methyl-3-(6-methylheptan-2-yl)-5-propylimidazolidin-4-one
CID 83252812
5-butyl-3-heptan-2-yl-2-propan-2-ylimidazolidin-4-one
CID 83253856
2-ethyl-3-(6-methylheptan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83252990
2-(2-methylpropyl)-3,5-dipropylimidazolidin-4-one
CID 83242530
3-heptan-2-yl-2-(2-methylpropyl)imidazolidin-4-one
CID 83253857
2-(2-methylpropyl)-3-pentan-2-yl-5-propan-2-ylimidazolidin-4-one
CID 83238813
5-ethyl-2-(2-methylpropyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
CID 83264729

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-3-octan-2-yl-5-propylimidazolidin-4-one?
The IUPAC name of 2-(2-methylpropyl)-3-octan-2-yl-5-propylimidazolidin-4-one (CID 83248176) is 2-(2-methylpropyl)-3-octan-2-yl-5-propylimidazolidin-4-one.
What is the SMILES notation for 2-(2-methylpropyl)-3-octan-2-yl-5-propylimidazolidin-4-one?
The canonical SMILES for 2-(2-methylpropyl)-3-octan-2-yl-5-propylimidazolidin-4-one is CCCCCCC(C)N1C(=O)C(CCC)NC1CC(C)C.
What is the InChIKey of 2-(2-methylpropyl)-3-octan-2-yl-5-propylimidazolidin-4-one?
The InChIKey is QBQJAUOHTQYVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-6-8-9-10-12-15(5)20-17(13-14(3)4)19-16(11-7-2)18(20)21/h14-17,19H,6-13H2,1-5H3.
What are the key properties of 2-(2-methylpropyl)-3-octan-2-yl-5-propylimidazolidin-4-one?
2-(2-methylpropyl)-3-octan-2-yl-5-propylimidazolidin-4-one has a molecular weight of 296.50 g/mol, XLogP of 4.32, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-3-octan-2-yl-5-propylimidazolidin-4-one is sourced from PubChem (CID 83248176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).