2-ethyl-5-propan-2-yl-3-(2,2,3-trimethylbutyl)imidazolidin-4-one

C15H30N2O — CID 114102621

IUPAC2-ethyl-5-propan-2-yl-3-(2,2,3-trimethylbutyl)imidazolidin-4-one
SMILESCCC1NC(C(C)C)C(=O)N1CC(C)(C)C(C)C
InChIInChI=1S/C15H30N2O/c1-8-12-16-13(10(2)3)14(18)17(12)9-15(6,7)11(4)5/h10-13,16H,8-9H2,1-7H3
InChIKeyHJZPWPFYHJBNLX-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.86
Rot. Bonds5

About 2-ethyl-5-propan-2-yl-3-(2,2,3-trimethylbutyl)imidazolidin-4-one

2-ethyl-5-propan-2-yl-3-(2,2,3-trimethylbutyl)imidazolidin-4-one (PubChem CID 114102621) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-ethyl-5-propan-2-yl-3-(2,2,3-trimethylbutyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-ethyl-5-propan-2-yl-3-(2,2,3-trimethylbutyl)imidazolidin-4-one
PubChem CID114102621
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-ethyl-5-propan-2-yl-3-(2,2,3-trimethylbutyl)imidazolidin-4-one
SMILESCCC1NC(C(C)C)C(=O)N1CC(C)(C)C(C)C
InChIInChI=1S/C15H30N2O/c1-8-12-16-13(10(2)3)14(18)17(12)9-15(6,7)11(4)5/h10-13,16H,8-9H2,1-7H3
InChIKeyHJZPWPFYHJBNLX-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-5-propan-2-yl-3-(2,2,3-trimethylbutyl)imidazolidin-4-one
CID 114102628
2-ethyl-3-pentyl-5-propan-2-ylimidazolidin-4-one
CID 83250549
3-(cyclobutylmethyl)-2-ethyl-5-propan-2-ylimidazolidin-4-one
CID 83243656
2-ethyl-3-[2-(4-methylcyclohexyl)ethyl]-5-propan-2-ylimidazolidin-4-one
CID 83263281
3-(2-butoxyethyl)-2-ethyl-5-propan-2-ylimidazolidin-4-one
CID 83253847
3-(2,2-dimethylpropyl)-2,5-di(propan-2-yl)imidazolidin-4-one
CID 83256296
3-(1,4-dioxan-2-ylmethyl)-2-ethyl-5-propan-2-ylimidazolidin-4-one
CID 83255818
2-ethyl-3-[2-(oxolan-2-yl)ethyl]-5-propan-2-ylimidazolidin-4-one
CID 83249092
5-butan-2-yl-2-ethyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83260297
5-butan-2-yl-3-(2-methoxy-2-methylpropyl)-2-propylimidazolidin-4-one
CID 104767780
5-butan-2-yl-2-ethyl-3-(2-methoxypropyl)imidazolidin-4-one
CID 102702008
5-butan-2-yl-3-(2-ethoxy-2-methylpropyl)-2-propylimidazolidin-4-one
CID 114944867

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-propan-2-yl-3-(2,2,3-trimethylbutyl)imidazolidin-4-one?
The IUPAC name of 2-ethyl-5-propan-2-yl-3-(2,2,3-trimethylbutyl)imidazolidin-4-one (CID 114102621) is 2-ethyl-5-propan-2-yl-3-(2,2,3-trimethylbutyl)imidazolidin-4-one.
What is the SMILES notation for 2-ethyl-5-propan-2-yl-3-(2,2,3-trimethylbutyl)imidazolidin-4-one?
The canonical SMILES for 2-ethyl-5-propan-2-yl-3-(2,2,3-trimethylbutyl)imidazolidin-4-one is CCC1NC(C(C)C)C(=O)N1CC(C)(C)C(C)C.
What is the InChIKey of 2-ethyl-5-propan-2-yl-3-(2,2,3-trimethylbutyl)imidazolidin-4-one?
The InChIKey is HJZPWPFYHJBNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-8-12-16-13(10(2)3)14(18)17(12)9-15(6,7)11(4)5/h10-13,16H,8-9H2,1-7H3.
What are the key properties of 2-ethyl-5-propan-2-yl-3-(2,2,3-trimethylbutyl)imidazolidin-4-one?
2-ethyl-5-propan-2-yl-3-(2,2,3-trimethylbutyl)imidazolidin-4-one has a molecular weight of 254.42 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-propan-2-yl-3-(2,2,3-trimethylbutyl)imidazolidin-4-one is sourced from PubChem (CID 114102621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).