5-propan-2-yl-3-(2-propan-2-yloxyethyl)-2-propylimidazolidin-4-one

C14H28N2O2 — CID 104767674

IUPAC5-propan-2-yl-3-(2-propan-2-yloxyethyl)-2-propylimidazolidin-4-one
SMILESCCCC1NC(C(C)C)C(=O)N1CCOC(C)C
InChIInChI=1S/C14H28N2O2/c1-6-7-12-15-13(10(2)3)14(17)16(12)8-9-18-11(4)5/h10-13,15H,6-9H2,1-5H3
InChIKeyGYQUVOWGSHWSSB-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.99
Rot. Bonds7

About 5-propan-2-yl-3-(2-propan-2-yloxyethyl)-2-propylimidazolidin-4-one

5-propan-2-yl-3-(2-propan-2-yloxyethyl)-2-propylimidazolidin-4-one (PubChem CID 104767674) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 5-propan-2-yl-3-(2-propan-2-yloxyethyl)-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name5-propan-2-yl-3-(2-propan-2-yloxyethyl)-2-propylimidazolidin-4-one
PubChem CID104767674
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name5-propan-2-yl-3-(2-propan-2-yloxyethyl)-2-propylimidazolidin-4-one
SMILESCCCC1NC(C(C)C)C(=O)N1CCOC(C)C
InChIInChI=1S/C14H28N2O2/c1-6-7-12-15-13(10(2)3)14(17)16(12)8-9-18-11(4)5/h10-13,15H,6-9H2,1-5H3
InChIKeyGYQUVOWGSHWSSB-UHFFFAOYSA-N
XLogP1.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-(2-propan-2-yloxyethyl)-2-propylimidazolidin-4-one?
The IUPAC name of 5-propan-2-yl-3-(2-propan-2-yloxyethyl)-2-propylimidazolidin-4-one (CID 104767674) is 5-propan-2-yl-3-(2-propan-2-yloxyethyl)-2-propylimidazolidin-4-one.
What is the SMILES notation for 5-propan-2-yl-3-(2-propan-2-yloxyethyl)-2-propylimidazolidin-4-one?
The canonical SMILES for 5-propan-2-yl-3-(2-propan-2-yloxyethyl)-2-propylimidazolidin-4-one is CCCC1NC(C(C)C)C(=O)N1CCOC(C)C.
What is the InChIKey of 5-propan-2-yl-3-(2-propan-2-yloxyethyl)-2-propylimidazolidin-4-one?
The InChIKey is GYQUVOWGSHWSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-6-7-12-15-13(10(2)3)14(17)16(12)8-9-18-11(4)5/h10-13,15H,6-9H2,1-5H3.
What are the key properties of 5-propan-2-yl-3-(2-propan-2-yloxyethyl)-2-propylimidazolidin-4-one?
5-propan-2-yl-3-(2-propan-2-yloxyethyl)-2-propylimidazolidin-4-one has a molecular weight of 256.39 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-(2-propan-2-yloxyethyl)-2-propylimidazolidin-4-one is sourced from PubChem (CID 104767674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).