3-(2-butoxyethyl)-2-cyclopentyl-5-ethyl-5-methylimidazolidin-4-one

C17H32N2O2 — CID 83253164

IUPAC3-(2-butoxyethyl)-2-cyclopentyl-5-ethyl-5-methylimidazolidin-4-one
SMILESCCCCOCCN1C(=O)C(C)(CC)NC1C1CCCC1
InChIInChI=1S/C17H32N2O2/c1-4-6-12-21-13-11-19-15(14-9-7-8-10-14)18-17(3,5-2)16(19)20/h14-15,18H,4-13H2,1-3H3
InChIKeyCKQHFOFCUZPZGP-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.92
Rot. Bonds8

About 3-(2-butoxyethyl)-2-cyclopentyl-5-ethyl-5-methylimidazolidin-4-one

3-(2-butoxyethyl)-2-cyclopentyl-5-ethyl-5-methylimidazolidin-4-one (PubChem CID 83253164) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 3-(2-butoxyethyl)-2-cyclopentyl-5-ethyl-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2-butoxyethyl)-2-cyclopentyl-5-ethyl-5-methylimidazolidin-4-one
PubChem CID83253164
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name3-(2-butoxyethyl)-2-cyclopentyl-5-ethyl-5-methylimidazolidin-4-one
SMILESCCCCOCCN1C(=O)C(C)(CC)NC1C1CCCC1
InChIInChI=1S/C17H32N2O2/c1-4-6-12-21-13-11-19-15(14-9-7-8-10-14)18-17(3,5-2)16(19)20/h14-15,18H,4-13H2,1-3H3
InChIKeyCKQHFOFCUZPZGP-UHFFFAOYSA-N
XLogP2.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.92
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

6-(2-butoxyethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83253351
2-cyclopentyl-5-ethyl-3-(4-methoxybutyl)-5-methylimidazolidin-4-one
CID 83244840
2-cyclopentyl-5-ethyl-5-methyl-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
CID 104767617
2-cyclopentyl-3-[2-(diethylamino)ethyl]-5-ethyl-5-methylimidazolidin-4-one
CID 83237942
2-cyclopentyl-5-ethyl-5-methyl-3-(2-methylpropyl)imidazolidin-4-one
CID 83242568
5-cyclopentyl-6-(3-propoxypropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83260733
3-(2-butoxyethyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83253506
2-cyclopentyl-3-cyclopropyl-5-ethyl-5-methylimidazolidin-4-one
CID 83242195
3-(2-cyclopentyloxyethyl)-2,5-diethyl-5-methylimidazolidin-4-one
CID 83257914
5-cyclopentyl-6-octyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83270056
2-cyclopentyl-5-ethyl-5-methyl-3-pentan-2-ylimidazolidin-4-one
CID 83239474
2-cyclopentyl-3-(2,2-dimethylcyclopentyl)-5-ethyl-5-methylimidazolidin-4-one
CID 83269789

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethyl)-2-cyclopentyl-5-ethyl-5-methylimidazolidin-4-one?
The IUPAC name of 3-(2-butoxyethyl)-2-cyclopentyl-5-ethyl-5-methylimidazolidin-4-one (CID 83253164) is 3-(2-butoxyethyl)-2-cyclopentyl-5-ethyl-5-methylimidazolidin-4-one.
What is the SMILES notation for 3-(2-butoxyethyl)-2-cyclopentyl-5-ethyl-5-methylimidazolidin-4-one?
The canonical SMILES for 3-(2-butoxyethyl)-2-cyclopentyl-5-ethyl-5-methylimidazolidin-4-one is CCCCOCCN1C(=O)C(C)(CC)NC1C1CCCC1.
What is the InChIKey of 3-(2-butoxyethyl)-2-cyclopentyl-5-ethyl-5-methylimidazolidin-4-one?
The InChIKey is CKQHFOFCUZPZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-4-6-12-21-13-11-19-15(14-9-7-8-10-14)18-17(3,5-2)16(19)20/h14-15,18H,4-13H2,1-3H3.
What are the key properties of 3-(2-butoxyethyl)-2-cyclopentyl-5-ethyl-5-methylimidazolidin-4-one?
3-(2-butoxyethyl)-2-cyclopentyl-5-ethyl-5-methylimidazolidin-4-one has a molecular weight of 296.45 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethyl)-2-cyclopentyl-5-ethyl-5-methylimidazolidin-4-one is sourced from PubChem (CID 83253164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).