5-butan-2-yl-2-methyl-3-(oxan-3-ylmethyl)imidazolidin-4-one

C14H26N2O2 — CID 83250080

IUPAC5-butan-2-yl-2-methyl-3-(oxan-3-ylmethyl)imidazolidin-4-one
SMILESCCC(C)C1NC(C)N(CC2CCCOC2)C1=O
InChIInChI=1S/C14H26N2O2/c1-4-10(2)13-14(17)16(11(3)15-13)8-12-6-5-7-18-9-12/h10-13,15H,4-9H2,1-3H3
InChIKeyAJESLQBEMYDVBK-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.61
Rot. Bonds4

About 5-butan-2-yl-2-methyl-3-(oxan-3-ylmethyl)imidazolidin-4-one

5-butan-2-yl-2-methyl-3-(oxan-3-ylmethyl)imidazolidin-4-one (PubChem CID 83250080) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 5-butan-2-yl-2-methyl-3-(oxan-3-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-2-methyl-3-(oxan-3-ylmethyl)imidazolidin-4-one
PubChem CID83250080
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name5-butan-2-yl-2-methyl-3-(oxan-3-ylmethyl)imidazolidin-4-one
SMILESCCC(C)C1NC(C)N(CC2CCCOC2)C1=O
InChIInChI=1S/C14H26N2O2/c1-4-10(2)13-14(17)16(11(3)15-13)8-12-6-5-7-18-9-12/h10-13,15H,4-9H2,1-3H3
InChIKeyAJESLQBEMYDVBK-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butan-2-yl-2-cyclopentyl-3-(oxolan-3-ylmethyl)imidazolidin-4-one
CID 83252729
5-butan-2-yl-2-methyl-3-(oxan-3-yl)imidazolidin-4-one
CID 83264762
5-butan-2-yl-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one
CID 83255699
2-methyl-3-(oxan-3-ylmethyl)-5-phenylimidazolidin-4-one
CID 83249352
5-butan-2-yl-2-methyl-3-(2-morpholin-4-ylethyl)imidazolidin-4-one
CID 83250695
2-ethyl-5-(2-methylpropyl)-3-(oxan-3-ylmethyl)imidazolidin-4-one
CID 83250078
5-butan-2-yl-2-methyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
CID 83253941
3-ethyl-1-(oxan-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64967664
2-(2-methylpropyl)-3-(oxan-3-ylmethyl)-5-propylimidazolidin-4-one
CID 83250292
5-butyl-2-methyl-3-(oxolan-3-ylmethyl)imidazolidin-4-one
CID 83254553
5-butan-2-yl-3-(2,3-dimethylbutyl)-2-methylimidazolidin-4-one
CID 83259137
5-butan-2-yl-2-methyl-3-[(1-propan-2-ylcyclopropyl)methyl]imidazolidin-4-one
CID 114115041

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-methyl-3-(oxan-3-ylmethyl)imidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-2-methyl-3-(oxan-3-ylmethyl)imidazolidin-4-one (CID 83250080) is 5-butan-2-yl-2-methyl-3-(oxan-3-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-2-methyl-3-(oxan-3-ylmethyl)imidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-2-methyl-3-(oxan-3-ylmethyl)imidazolidin-4-one is CCC(C)C1NC(C)N(CC2CCCOC2)C1=O.
What is the InChIKey of 5-butan-2-yl-2-methyl-3-(oxan-3-ylmethyl)imidazolidin-4-one?
The InChIKey is AJESLQBEMYDVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-4-10(2)13-14(17)16(11(3)15-13)8-12-6-5-7-18-9-12/h10-13,15H,4-9H2,1-3H3.
What are the key properties of 5-butan-2-yl-2-methyl-3-(oxan-3-ylmethyl)imidazolidin-4-one?
5-butan-2-yl-2-methyl-3-(oxan-3-ylmethyl)imidazolidin-4-one has a molecular weight of 254.37 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-methyl-3-(oxan-3-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 83250080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).