5-butan-2-yl-2-ethyl-3-[2-(2-methoxyethoxy)ethyl]imidazolidin-4-one

C14H28N2O3 — CID 83245523

IUPAC5-butan-2-yl-2-ethyl-3-[2-(2-methoxyethoxy)ethyl]imidazolidin-4-one
SMILESCCC(C)C1NC(CC)N(CCOCCOC)C1=O
InChIInChI=1S/C14H28N2O3/c1-5-11(3)13-14(17)16(12(6-2)15-13)7-8-19-10-9-18-4/h11-13,15H,5-10H2,1-4H3
InChIKeyUAKJMDQEDWUOJU-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.23
Rot. Bonds9

About 5-butan-2-yl-2-ethyl-3-[2-(2-methoxyethoxy)ethyl]imidazolidin-4-one

5-butan-2-yl-2-ethyl-3-[2-(2-methoxyethoxy)ethyl]imidazolidin-4-one (PubChem CID 83245523) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 5-butan-2-yl-2-ethyl-3-[2-(2-methoxyethoxy)ethyl]imidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-2-ethyl-3-[2-(2-methoxyethoxy)ethyl]imidazolidin-4-one
PubChem CID83245523
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name5-butan-2-yl-2-ethyl-3-[2-(2-methoxyethoxy)ethyl]imidazolidin-4-one
SMILESCCC(C)C1NC(CC)N(CCOCCOC)C1=O
InChIInChI=1S/C14H28N2O3/c1-5-11(3)13-14(17)16(12(6-2)15-13)7-8-19-10-9-18-4/h11-13,15H,5-10H2,1-4H3
InChIKeyUAKJMDQEDWUOJU-UHFFFAOYSA-N
XLogP1.23
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-butan-2-yl-2-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazolidin-4-one
CID 83254561
5-butan-2-yl-2-ethyl-3-(3-methoxy-2-methylpropyl)imidazolidin-4-one
CID 83249724
5-butan-2-yl-3-(4-methoxybutyl)-2-propylimidazolidin-4-one
CID 83247429
3-[2-(2-methoxyethoxy)ethyl]-2-(2-methylpropyl)-5-propan-2-ylimidazolidin-4-one
CID 83255782
3-(2-butoxyethyl)-2-ethyl-5-propan-2-ylimidazolidin-4-one
CID 83253847
5-butan-2-yl-2-ethyl-3-(2-methoxypropyl)imidazolidin-4-one
CID 102702008
5-butan-2-yl-2-ethyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83260297
3-butan-2-yl-1-(2-butoxyethyl)-6-ethylpiperazine-2,5-dione
CID 64902153
5-butan-2-yl-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
CID 83264986
5-butan-2-yl-2-ethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one
CID 106327137
5-butan-2-yl-2-(2-methylpropyl)-3-pentylimidazolidin-4-one
CID 83250722
5-butan-2-yl-2-ethyl-3-[(1-methylcyclopropyl)methyl]imidazolidin-4-one
CID 114102642

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-ethyl-3-[2-(2-methoxyethoxy)ethyl]imidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-2-ethyl-3-[2-(2-methoxyethoxy)ethyl]imidazolidin-4-one (CID 83245523) is 5-butan-2-yl-2-ethyl-3-[2-(2-methoxyethoxy)ethyl]imidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-2-ethyl-3-[2-(2-methoxyethoxy)ethyl]imidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-2-ethyl-3-[2-(2-methoxyethoxy)ethyl]imidazolidin-4-one is CCC(C)C1NC(CC)N(CCOCCOC)C1=O.
What is the InChIKey of 5-butan-2-yl-2-ethyl-3-[2-(2-methoxyethoxy)ethyl]imidazolidin-4-one?
The InChIKey is UAKJMDQEDWUOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-5-11(3)13-14(17)16(12(6-2)15-13)7-8-19-10-9-18-4/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 5-butan-2-yl-2-ethyl-3-[2-(2-methoxyethoxy)ethyl]imidazolidin-4-one?
5-butan-2-yl-2-ethyl-3-[2-(2-methoxyethoxy)ethyl]imidazolidin-4-one has a molecular weight of 272.39 g/mol, XLogP of 1.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-ethyl-3-[2-(2-methoxyethoxy)ethyl]imidazolidin-4-one is sourced from PubChem (CID 83245523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).