2-(2-methylpropyl)-3-octan-4-ylimidazolidin-4-one

C15H30N2O — CID 106021540

IUPAC2-(2-methylpropyl)-3-octan-4-ylimidazolidin-4-one
SMILESCCCCC(CCC)N1C(=O)CNC1CC(C)C
InChIInChI=1S/C15H30N2O/c1-5-7-9-13(8-6-2)17-14(10-12(3)4)16-11-15(17)18/h12-14,16H,5-11H2,1-4H3
InChIKeyMURMIUSCOOLRKP-UHFFFAOYSA-N
MW254.42 g/mol
LogP3.15
Rot. Bonds8

About 2-(2-methylpropyl)-3-octan-4-ylimidazolidin-4-one

2-(2-methylpropyl)-3-octan-4-ylimidazolidin-4-one (PubChem CID 106021540) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3-octan-4-ylimidazolidin-4-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-3-octan-4-ylimidazolidin-4-one
PubChem CID106021540
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-(2-methylpropyl)-3-octan-4-ylimidazolidin-4-one
SMILESCCCCC(CCC)N1C(=O)CNC1CC(C)C
InChIInChI=1S/C15H30N2O/c1-5-7-9-13(8-6-2)17-14(10-12(3)4)16-11-15(17)18/h12-14,16H,5-11H2,1-4H3
InChIKeyMURMIUSCOOLRKP-UHFFFAOYSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-heptan-2-yl-2-(2-methylpropyl)imidazolidin-4-one
CID 83253857
2-ethyl-3-hexan-3-ylimidazolidin-4-one
CID 83252525
3-octan-4-yl-2-phenylimidazolidin-4-one
CID 106021439
3-(dicyclopropylmethyl)-2-(2-methylpropyl)imidazolidin-4-one
CID 83253006
3-(1-methoxypentan-2-yl)-2-propylimidazolidin-4-one
CID 83263990
2-(2-methylpropyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
CID 83263628
3-octan-4-yl-5-propan-2-yl-2-propylimidazolidin-4-one
CID 106021469
6-hexan-2-yl-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83252507
3-octan-2-yl-2-propan-2-ylimidazolidin-4-one
CID 83246891
4-hydroxy-1-octan-4-ylpyrrolidin-2-one
CID 106021146
1-octan-4-ylpiperazine-2,5-dione
CID 106027657
3-[4-[methyl(propan-2-yl)amino]butyl]-2-(2-methylpropyl)imidazolidin-4-one
CID 83247971

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-3-octan-4-ylimidazolidin-4-one?
The IUPAC name of 2-(2-methylpropyl)-3-octan-4-ylimidazolidin-4-one (CID 106021540) is 2-(2-methylpropyl)-3-octan-4-ylimidazolidin-4-one.
What is the SMILES notation for 2-(2-methylpropyl)-3-octan-4-ylimidazolidin-4-one?
The canonical SMILES for 2-(2-methylpropyl)-3-octan-4-ylimidazolidin-4-one is CCCCC(CCC)N1C(=O)CNC1CC(C)C.
What is the InChIKey of 2-(2-methylpropyl)-3-octan-4-ylimidazolidin-4-one?
The InChIKey is MURMIUSCOOLRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-7-9-13(8-6-2)17-14(10-12(3)4)16-11-15(17)18/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 2-(2-methylpropyl)-3-octan-4-ylimidazolidin-4-one?
2-(2-methylpropyl)-3-octan-4-ylimidazolidin-4-one has a molecular weight of 254.42 g/mol, XLogP of 3.15, 8 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-4-ylimidazolidin-4-one is sourced from PubChem (CID 106021540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).