3-(2-butoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one

C16H24N2O2 — CID 83253672

IUPAC3-(2-butoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one
SMILESCCCCOCCN1C(=O)CNC1c1ccc(C)cc1
InChIInChI=1S/C16H24N2O2/c1-3-4-10-20-11-9-18-15(19)12-17-16(18)14-7-5-13(2)6-8-14/h5-8,16-17H,3-4,9-12H2,1-2H3
InChIKeyFUJCVTQQWKQTEA-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.24
Rot. Bonds7

About 3-(2-butoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one

3-(2-butoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one (PubChem CID 83253672) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(2-butoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(2-butoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one
PubChem CID83253672
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-(2-butoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one
SMILESCCCCOCCN1C(=O)CNC1c1ccc(C)cc1
InChIInChI=1S/C16H24N2O2/c1-3-4-10-20-11-9-18-15(19)12-17-16(18)14-7-5-13(2)6-8-14/h5-8,16-17H,3-4,9-12H2,1-2H3
InChIKeyFUJCVTQQWKQTEA-UHFFFAOYSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.24
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

3-(2-ethoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83238354
3-(2-butoxyethyl)-2-(2,4-dimethylphenyl)imidazolidin-4-one
CID 83252968
2-(4-fluorophenyl)-3-(3-propoxypropyl)imidazolidin-4-one
CID 83260276
3-(2-ethoxyethyl)-2-(4-propoxyphenyl)imidazolidin-4-one
CID 83232922
3-(2-butoxyethyl)-2-methylimidazolidin-4-one
CID 83254187
2-(4-propoxyphenyl)-3-propylimidazolidin-4-one
CID 115282100
2-(4-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one
CID 83257494
2-(4-methylphenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83259867
2-(2,5-dimethylphenyl)-3-(3-propoxypropyl)imidazolidin-4-one
CID 83269616
3-butyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83238040
2-phenyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
CID 83264982
3-(2-cyclopropylethyl)-2-(4-methoxyphenyl)imidazolidin-4-one
CID 83259179

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one?
The IUPAC name of 3-(2-butoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one (CID 83253672) is 3-(2-butoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one.
What is the SMILES notation for 3-(2-butoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one?
The canonical SMILES for 3-(2-butoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one is CCCCOCCN1C(=O)CNC1c1ccc(C)cc1.
What is the InChIKey of 3-(2-butoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one?
The InChIKey is FUJCVTQQWKQTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-4-10-20-11-9-18-15(19)12-17-16(18)14-7-5-13(2)6-8-14/h5-8,16-17H,3-4,9-12H2,1-2H3.
What are the key properties of 3-(2-butoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one?
3-(2-butoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one has a molecular weight of 276.38 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one is sourced from PubChem (CID 83253672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).