2-(2-methylpropyl)-3-(oxan-3-ylmethyl)-5-propylimidazolidin-4-one

C16H30N2O2 — CID 83250292

IUPAC2-(2-methylpropyl)-3-(oxan-3-ylmethyl)-5-propylimidazolidin-4-one
SMILESCCCC1NC(CC(C)C)N(CC2CCCOC2)C1=O
InChIInChI=1S/C16H30N2O2/c1-4-6-14-16(19)18(15(17-14)9-12(2)3)10-13-7-5-8-20-11-13/h12-15,17H,4-11H2,1-3H3
InChIKeyBMUJVDCEIWPAPD-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.39
Rot. Bonds6

About 2-(2-methylpropyl)-3-(oxan-3-ylmethyl)-5-propylimidazolidin-4-one

2-(2-methylpropyl)-3-(oxan-3-ylmethyl)-5-propylimidazolidin-4-one (PubChem CID 83250292) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3-(oxan-3-ylmethyl)-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-3-(oxan-3-ylmethyl)-5-propylimidazolidin-4-one
PubChem CID83250292
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-(2-methylpropyl)-3-(oxan-3-ylmethyl)-5-propylimidazolidin-4-one
SMILESCCCC1NC(CC(C)C)N(CC2CCCOC2)C1=O
InChIInChI=1S/C16H30N2O2/c1-4-6-14-16(19)18(15(17-14)9-12(2)3)10-13-7-5-8-20-11-13/h12-15,17H,4-11H2,1-3H3
InChIKeyBMUJVDCEIWPAPD-UHFFFAOYSA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-5-(2-methylpropyl)-3-(oxan-3-ylmethyl)imidazolidin-4-one
CID 83250078
3-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylpropyl)-5-propylimidazolidin-4-one
CID 83253548
3-(cyclohexylmethyl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one
CID 83244505
3-[(1,1-dioxothiolan-2-yl)methyl]-2-(2-methylpropyl)-5-propylimidazolidin-4-one
CID 83266748
2-(2-methylpropyl)-3,5-dipropylimidazolidin-4-one
CID 83242530
2-(2-methylpropyl)-3-[2-(oxan-2-yl)ethyl]-5-propylimidazolidin-4-one
CID 106000199
5-butyl-3-(2-cyclopentylethyl)-2-(2-methylpropyl)imidazolidin-4-one
CID 83246039
3-ethyl-1-(oxan-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64967664
2-(2-methylpropyl)-5-propyl-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-4-one
CID 83249859
3-(cyclobutylmethyl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83243576
5-butan-2-yl-2-methyl-3-(oxan-3-ylmethyl)imidazolidin-4-one
CID 83250080
3-[[1-(dimethylamino)cyclobutyl]methyl]-2-(2-methylpropyl)-5-propylimidazolidin-4-one
CID 105421083

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-3-(oxan-3-ylmethyl)-5-propylimidazolidin-4-one?
The IUPAC name of 2-(2-methylpropyl)-3-(oxan-3-ylmethyl)-5-propylimidazolidin-4-one (CID 83250292) is 2-(2-methylpropyl)-3-(oxan-3-ylmethyl)-5-propylimidazolidin-4-one.
What is the SMILES notation for 2-(2-methylpropyl)-3-(oxan-3-ylmethyl)-5-propylimidazolidin-4-one?
The canonical SMILES for 2-(2-methylpropyl)-3-(oxan-3-ylmethyl)-5-propylimidazolidin-4-one is CCCC1NC(CC(C)C)N(CC2CCCOC2)C1=O.
What is the InChIKey of 2-(2-methylpropyl)-3-(oxan-3-ylmethyl)-5-propylimidazolidin-4-one?
The InChIKey is BMUJVDCEIWPAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-6-14-16(19)18(15(17-14)9-12(2)3)10-13-7-5-8-20-11-13/h12-15,17H,4-11H2,1-3H3.
What are the key properties of 2-(2-methylpropyl)-3-(oxan-3-ylmethyl)-5-propylimidazolidin-4-one?
2-(2-methylpropyl)-3-(oxan-3-ylmethyl)-5-propylimidazolidin-4-one has a molecular weight of 282.43 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-3-(oxan-3-ylmethyl)-5-propylimidazolidin-4-one is sourced from PubChem (CID 83250292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).