5-butyl-3-(1-methoxypropan-2-yl)-2-propan-2-ylimidazolidin-4-one

C14H28N2O2 — CID 83239379

IUPAC5-butyl-3-(1-methoxypropan-2-yl)-2-propan-2-ylimidazolidin-4-one
SMILESCCCCC1NC(C(C)C)N(C(C)COC)C1=O
InChIInChI=1S/C14H28N2O2/c1-6-7-8-12-14(17)16(11(4)9-18-5)13(15-12)10(2)3/h10-13,15H,6-9H2,1-5H3
InChIKeyPKKINQIBZVJGRH-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.99
Rot. Bonds7

About 5-butyl-3-(1-methoxypropan-2-yl)-2-propan-2-ylimidazolidin-4-one

5-butyl-3-(1-methoxypropan-2-yl)-2-propan-2-ylimidazolidin-4-one (PubChem CID 83239379) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 5-butyl-3-(1-methoxypropan-2-yl)-2-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-(1-methoxypropan-2-yl)-2-propan-2-ylimidazolidin-4-one
PubChem CID83239379
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name5-butyl-3-(1-methoxypropan-2-yl)-2-propan-2-ylimidazolidin-4-one
SMILESCCCCC1NC(C(C)C)N(C(C)COC)C1=O
InChIInChI=1S/C14H28N2O2/c1-6-7-8-12-14(17)16(11(4)9-18-5)13(15-12)10(2)3/h10-13,15H,6-9H2,1-5H3
InChIKeyPKKINQIBZVJGRH-UHFFFAOYSA-N
XLogP1.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butyl-3-heptan-2-yl-2-propan-2-ylimidazolidin-4-one
CID 83253856
5-butyl-3-(1-methoxypropan-2-yl)-2-phenylimidazolidin-4-one
CID 83237900
3-(1-methoxypropan-2-yl)-2-methyl-5-propylimidazolidin-4-one
CID 83240070
3-(1-methoxypropan-2-yl)-2,5-dipropylimidazolidin-4-one
CID 83238801
5-butyl-2-propan-2-yl-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
CID 104767679
3-(1-methylsulfonylpropan-2-yl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83264436
5-butyl-3-(cyclobutylmethyl)-2-propan-2-ylimidazolidin-4-one
CID 83244060
5-butyl-2-methyl-3-pentan-2-ylimidazolidin-4-one
CID 83239016
3-(1-methoxypropan-2-yl)-2-(3-methylphenyl)-5-propylimidazolidin-4-one
CID 83238139
3-(1-cyclopropylethyl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83243853
5-butyl-2-methyl-3-(3-methylpentan-2-yl)imidazolidin-4-one
CID 83246045
5-butyl-3-cycloheptyl-2-propan-2-ylimidazolidin-4-one
CID 83244477

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(1-methoxypropan-2-yl)-2-propan-2-ylimidazolidin-4-one?
The IUPAC name of 5-butyl-3-(1-methoxypropan-2-yl)-2-propan-2-ylimidazolidin-4-one (CID 83239379) is 5-butyl-3-(1-methoxypropan-2-yl)-2-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-butyl-3-(1-methoxypropan-2-yl)-2-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 5-butyl-3-(1-methoxypropan-2-yl)-2-propan-2-ylimidazolidin-4-one is CCCCC1NC(C(C)C)N(C(C)COC)C1=O.
What is the InChIKey of 5-butyl-3-(1-methoxypropan-2-yl)-2-propan-2-ylimidazolidin-4-one?
The InChIKey is PKKINQIBZVJGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-6-7-8-12-14(17)16(11(4)9-18-5)13(15-12)10(2)3/h10-13,15H,6-9H2,1-5H3.
What are the key properties of 5-butyl-3-(1-methoxypropan-2-yl)-2-propan-2-ylimidazolidin-4-one?
5-butyl-3-(1-methoxypropan-2-yl)-2-propan-2-ylimidazolidin-4-one has a molecular weight of 256.39 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(1-methoxypropan-2-yl)-2-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83239379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).