5-butyl-3-(4-propan-2-yloxybutyl)-2-propylimidazolidin-4-one

C17H34N2O2 — CID 106011093

IUPAC5-butyl-3-(4-propan-2-yloxybutyl)-2-propylimidazolidin-4-one
SMILESCCCCC1NC(CCC)N(CCCCOC(C)C)C1=O
InChIInChI=1S/C17H34N2O2/c1-5-7-11-15-17(20)19(16(18-15)10-6-2)12-8-9-13-21-14(3)4/h14-16,18H,5-13H2,1-4H3
InChIKeySCWCVBIBGIKKIB-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.31
Rot. Bonds11

About 5-butyl-3-(4-propan-2-yloxybutyl)-2-propylimidazolidin-4-one

5-butyl-3-(4-propan-2-yloxybutyl)-2-propylimidazolidin-4-one (PubChem CID 106011093) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 5-butyl-3-(4-propan-2-yloxybutyl)-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-(4-propan-2-yloxybutyl)-2-propylimidazolidin-4-one
PubChem CID106011093
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name5-butyl-3-(4-propan-2-yloxybutyl)-2-propylimidazolidin-4-one
SMILESCCCCC1NC(CCC)N(CCCCOC(C)C)C1=O
InChIInChI=1S/C17H34N2O2/c1-5-7-11-15-17(20)19(16(18-15)10-6-2)12-8-9-13-21-14(3)4/h14-16,18H,5-13H2,1-4H3
InChIKeySCWCVBIBGIKKIB-UHFFFAOYSA-N
XLogP3.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.31
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
3-pentyl-2,5-dipropylimidazolidin-4-one
CID 83250379
5-butyl-2-propan-2-yl-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
CID 104767679
5-methyl-3-(2-propan-2-yloxyethyl)-2-propylimidazolidin-4-one
CID 104767695
5-butyl-3-(3-cyclopentylpropyl)-2-propylimidazolidin-4-one
CID 106011295
3-[3-[methyl(propan-2-yl)amino]propyl]-2,5-dipropylimidazolidin-4-one
CID 106053081
5-butyl-3-(2-cyclopentyloxyethyl)-2-propylimidazolidin-4-one
CID 83264500
5-butyl-3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one
CID 83237995
5-propan-2-yl-3-(2-propan-2-yloxyethyl)-2-propylimidazolidin-4-one
CID 104767674
3-(2-butoxyethyl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one
CID 83253671
5-butyl-2-propyl-3-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazolidin-4-one
CID 83269331
5-butyl-3-(2-methoxy-2-methylpropyl)-2-propylimidazolidin-4-one
CID 104767723

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(4-propan-2-yloxybutyl)-2-propylimidazolidin-4-one?
The IUPAC name of 5-butyl-3-(4-propan-2-yloxybutyl)-2-propylimidazolidin-4-one (CID 106011093) is 5-butyl-3-(4-propan-2-yloxybutyl)-2-propylimidazolidin-4-one.
What is the SMILES notation for 5-butyl-3-(4-propan-2-yloxybutyl)-2-propylimidazolidin-4-one?
The canonical SMILES for 5-butyl-3-(4-propan-2-yloxybutyl)-2-propylimidazolidin-4-one is CCCCC1NC(CCC)N(CCCCOC(C)C)C1=O.
What is the InChIKey of 5-butyl-3-(4-propan-2-yloxybutyl)-2-propylimidazolidin-4-one?
The InChIKey is SCWCVBIBGIKKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-5-7-11-15-17(20)19(16(18-15)10-6-2)12-8-9-13-21-14(3)4/h14-16,18H,5-13H2,1-4H3.
What are the key properties of 5-butyl-3-(4-propan-2-yloxybutyl)-2-propylimidazolidin-4-one?
5-butyl-3-(4-propan-2-yloxybutyl)-2-propylimidazolidin-4-one has a molecular weight of 298.47 g/mol, XLogP of 3.31, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(4-propan-2-yloxybutyl)-2-propylimidazolidin-4-one is sourced from PubChem (CID 106011093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).