3-(oxan-3-yl)-5-propan-2-yl-2-propylimidazolidin-4-one

C14H26N2O2 — CID 83263063

IUPAC3-(oxan-3-yl)-5-propan-2-yl-2-propylimidazolidin-4-one
SMILESCCCC1NC(C(C)C)C(=O)N1C1CCCOC1
InChIInChI=1S/C14H26N2O2/c1-4-6-12-15-13(10(2)3)14(17)16(12)11-7-5-8-18-9-11/h10-13,15H,4-9H2,1-3H3
InChIKeyGLJMNGGDWXHLNC-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.75
Rot. Bonds4

About 3-(oxan-3-yl)-5-propan-2-yl-2-propylimidazolidin-4-one

3-(oxan-3-yl)-5-propan-2-yl-2-propylimidazolidin-4-one (PubChem CID 83263063) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-(oxan-3-yl)-5-propan-2-yl-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-(oxan-3-yl)-5-propan-2-yl-2-propylimidazolidin-4-one
PubChem CID83263063
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-(oxan-3-yl)-5-propan-2-yl-2-propylimidazolidin-4-one
SMILESCCCC1NC(C(C)C)C(=O)N1C1CCCOC1
InChIInChI=1S/C14H26N2O2/c1-4-6-12-15-13(10(2)3)14(17)16(12)11-7-5-8-18-9-11/h10-13,15H,4-9H2,1-3H3
InChIKeyGLJMNGGDWXHLNC-UHFFFAOYSA-N
XLogP1.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(oxan-4-yl)-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83256757
3-(oxolan-3-yl)-2,5-dipropylimidazolidin-4-one
CID 83271242
3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83250192
5-butan-2-yl-2-methyl-3-(oxan-3-yl)imidazolidin-4-one
CID 83264762
5-butyl-3-(oxan-3-yl)-2-propan-2-ylimidazolidin-4-one
CID 83262754
5-methyl-2-(2-methylpropyl)-3-(oxan-3-yl)imidazolidin-4-one
CID 83263881
3-(2,4-dimethylcyclohexyl)-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83264222
5-propan-2-yl-2-propyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazolidin-4-one
CID 83270816
3-(1,1-dioxothian-4-yl)-2-ethyl-5-propan-2-ylimidazolidin-4-one
CID 83243310
1-(oxan-3-yl)-3-propylpiperazine-2,5-dione
CID 64971351
6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64873851
3-[2-(oxan-2-yl)ethyl]-5-propan-2-yl-2-propylimidazolidin-4-one
CID 106000051

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-3-yl)-5-propan-2-yl-2-propylimidazolidin-4-one?
The IUPAC name of 3-(oxan-3-yl)-5-propan-2-yl-2-propylimidazolidin-4-one (CID 83263063) is 3-(oxan-3-yl)-5-propan-2-yl-2-propylimidazolidin-4-one.
What is the SMILES notation for 3-(oxan-3-yl)-5-propan-2-yl-2-propylimidazolidin-4-one?
The canonical SMILES for 3-(oxan-3-yl)-5-propan-2-yl-2-propylimidazolidin-4-one is CCCC1NC(C(C)C)C(=O)N1C1CCCOC1.
What is the InChIKey of 3-(oxan-3-yl)-5-propan-2-yl-2-propylimidazolidin-4-one?
The InChIKey is GLJMNGGDWXHLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-4-6-12-15-13(10(2)3)14(17)16(12)11-7-5-8-18-9-11/h10-13,15H,4-9H2,1-3H3.
What are the key properties of 3-(oxan-3-yl)-5-propan-2-yl-2-propylimidazolidin-4-one?
3-(oxan-3-yl)-5-propan-2-yl-2-propylimidazolidin-4-one has a molecular weight of 254.37 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-3-yl)-5-propan-2-yl-2-propylimidazolidin-4-one is sourced from PubChem (CID 83263063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).