5-butyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one

C14H28N2O2 — CID 83237995

IUPAC5-butyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one
SMILESCCCCC1NC(CC)N(CCCOCC)C1=O
InChIInChI=1S/C14H28N2O2/c1-4-7-9-12-14(17)16(13(5-2)15-12)10-8-11-18-6-3/h12-13,15H,4-11H2,1-3H3
InChIKeySJFRBLJRBXGLQX-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.14
Rot. Bonds9

About 5-butyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one

5-butyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one (PubChem CID 83237995) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 5-butyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one
PubChem CID83237995
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name5-butyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one
SMILESCCCCC1NC(CC)N(CCCOCC)C1=O
InChIInChI=1S/C14H28N2O2/c1-4-7-9-12-14(17)16(13(5-2)15-12)10-8-11-18-6-3/h12-13,15H,4-11H2,1-3H3
InChIKeySJFRBLJRBXGLQX-UHFFFAOYSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-butyl-3-(3-methoxypropyl)-2-propylimidazolidin-4-one
CID 83243884
5-benzyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one
CID 83232217
2-ethyl-5-(2-methylpropyl)-3-(3-propoxypropyl)imidazolidin-4-one
CID 83260824
5-butyl-2-ethyl-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-4-one
CID 83254451
3-(3-ethoxypropyl)-5-ethyl-2-methylimidazolidin-4-one
CID 83237626
5-butyl-3-(4-propan-2-yloxybutyl)-2-propylimidazolidin-4-one
CID 106011093
3-(2-ethoxyethyl)-2-ethyl-5-methylimidazolidin-4-one
CID 83237257
3-pentyl-2,5-dipropylimidazolidin-4-one
CID 83250379
5-butyl-3-(3-cyclopentylpropyl)-2-propylimidazolidin-4-one
CID 106011295
5-butyl-3-(2-cyclopentyloxyethyl)-2-propylimidazolidin-4-one
CID 83264500
5-ethyl-2-(2-methylpropyl)-3-(3-propoxypropyl)imidazolidin-4-one
CID 83260919
1-(3-ethoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64958653

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one?
The IUPAC name of 5-butyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one (CID 83237995) is 5-butyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one.
What is the SMILES notation for 5-butyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one?
The canonical SMILES for 5-butyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one is CCCCC1NC(CC)N(CCCOCC)C1=O.
What is the InChIKey of 5-butyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one?
The InChIKey is SJFRBLJRBXGLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-7-9-12-14(17)16(13(5-2)15-12)10-8-11-18-6-3/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 5-butyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one?
5-butyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one has a molecular weight of 256.39 g/mol, XLogP of 2.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one is sourced from PubChem (CID 83237995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).