3-(4-methoxy-2,2-dimethylbutyl)-5-(2-methylpropyl)imidazolidin-4-one

C14H28N2O2 — CID 114125253

IUPAC3-(4-methoxy-2,2-dimethylbutyl)-5-(2-methylpropyl)imidazolidin-4-one
SMILESCOCCC(C)(C)CN1CNC(CC(C)C)C1=O
InChIInChI=1S/C14H28N2O2/c1-11(2)8-12-13(17)16(10-15-12)9-14(3,4)6-7-18-5/h11-12,15H,6-10H2,1-5H3
InChIKeyAIZDYSSUHZPUTG-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.85
Rot. Bonds7

About 3-(4-methoxy-2,2-dimethylbutyl)-5-(2-methylpropyl)imidazolidin-4-one

3-(4-methoxy-2,2-dimethylbutyl)-5-(2-methylpropyl)imidazolidin-4-one (PubChem CID 114125253) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-(4-methoxy-2,2-dimethylbutyl)-5-(2-methylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(4-methoxy-2,2-dimethylbutyl)-5-(2-methylpropyl)imidazolidin-4-one
PubChem CID114125253
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-(4-methoxy-2,2-dimethylbutyl)-5-(2-methylpropyl)imidazolidin-4-one
SMILESCOCCC(C)(C)CN1CNC(CC(C)C)C1=O
InChIInChI=1S/C14H28N2O2/c1-11(2)8-12-13(17)16(10-15-12)9-14(3,4)6-7-18-5/h11-12,15H,6-10H2,1-5H3
InChIKeyAIZDYSSUHZPUTG-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dimethylheptyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83270786
3-(2-methoxy-2-methylpropyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 104767754
3-[2-(dimethylamino)-2-methylpropyl]-5-(2-methylpropyl)imidazolidin-4-one
CID 83253023
3-(3-methylbutyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83238290
3-(2-methyl-3-methylsulfanylpropyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83257472
5-(2-methylpropyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83257953
5-(2-methylpropyl)-3-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazolidin-4-one
CID 83258955
3-(1-methoxybutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83258633
3-(3,3-dimethylbutan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one
CID 104830706
5-ethyl-3-(3-methoxy-2-methylpropyl)imidazolidin-4-one
CID 83249714
5-(2-methylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
CID 83253267
5-ethyl-3-(2-methoxyethyl)imidazolidin-4-one
CID 83242628

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2,2-dimethylbutyl)-5-(2-methylpropyl)imidazolidin-4-one?
The IUPAC name of 3-(4-methoxy-2,2-dimethylbutyl)-5-(2-methylpropyl)imidazolidin-4-one (CID 114125253) is 3-(4-methoxy-2,2-dimethylbutyl)-5-(2-methylpropyl)imidazolidin-4-one.
What is the SMILES notation for 3-(4-methoxy-2,2-dimethylbutyl)-5-(2-methylpropyl)imidazolidin-4-one?
The canonical SMILES for 3-(4-methoxy-2,2-dimethylbutyl)-5-(2-methylpropyl)imidazolidin-4-one is COCCC(C)(C)CN1CNC(CC(C)C)C1=O.
What is the InChIKey of 3-(4-methoxy-2,2-dimethylbutyl)-5-(2-methylpropyl)imidazolidin-4-one?
The InChIKey is AIZDYSSUHZPUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)8-12-13(17)16(10-15-12)9-14(3,4)6-7-18-5/h11-12,15H,6-10H2,1-5H3.
What are the key properties of 3-(4-methoxy-2,2-dimethylbutyl)-5-(2-methylpropyl)imidazolidin-4-one?
3-(4-methoxy-2,2-dimethylbutyl)-5-(2-methylpropyl)imidazolidin-4-one has a molecular weight of 256.39 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2,2-dimethylbutyl)-5-(2-methylpropyl)imidazolidin-4-one is sourced from PubChem (CID 114125253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).