2-(2-methylpropyl)-3-[2-(oxan-2-yl)ethyl]-5-propylimidazolidin-4-one

C17H32N2O2 — CID 106000199

IUPAC2-(2-methylpropyl)-3-[2-(oxan-2-yl)ethyl]-5-propylimidazolidin-4-one
SMILESCCCC1NC(CC(C)C)N(CCC2CCCCO2)C1=O
InChIInChI=1S/C17H32N2O2/c1-4-7-15-17(20)19(16(18-15)12-13(2)3)10-9-14-8-5-6-11-21-14/h13-16,18H,4-12H2,1-3H3
InChIKeyHPILJKRWOYUBCC-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.92
Rot. Bonds7

About 2-(2-methylpropyl)-3-[2-(oxan-2-yl)ethyl]-5-propylimidazolidin-4-one

2-(2-methylpropyl)-3-[2-(oxan-2-yl)ethyl]-5-propylimidazolidin-4-one (PubChem CID 106000199) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3-[2-(oxan-2-yl)ethyl]-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-3-[2-(oxan-2-yl)ethyl]-5-propylimidazolidin-4-one
PubChem CID106000199
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name2-(2-methylpropyl)-3-[2-(oxan-2-yl)ethyl]-5-propylimidazolidin-4-one
SMILESCCCC1NC(CC(C)C)N(CCC2CCCCO2)C1=O
InChIInChI=1S/C17H32N2O2/c1-4-7-15-17(20)19(16(18-15)12-13(2)3)10-9-14-8-5-6-11-21-14/h13-16,18H,4-12H2,1-3H3
InChIKeyHPILJKRWOYUBCC-UHFFFAOYSA-N
XLogP2.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-3-[2-(oxan-2-yl)ethyl]-5-propylimidazolidin-4-one?
The IUPAC name of 2-(2-methylpropyl)-3-[2-(oxan-2-yl)ethyl]-5-propylimidazolidin-4-one (CID 106000199) is 2-(2-methylpropyl)-3-[2-(oxan-2-yl)ethyl]-5-propylimidazolidin-4-one.
What is the SMILES notation for 2-(2-methylpropyl)-3-[2-(oxan-2-yl)ethyl]-5-propylimidazolidin-4-one?
The canonical SMILES for 2-(2-methylpropyl)-3-[2-(oxan-2-yl)ethyl]-5-propylimidazolidin-4-one is CCCC1NC(CC(C)C)N(CCC2CCCCO2)C1=O.
What is the InChIKey of 2-(2-methylpropyl)-3-[2-(oxan-2-yl)ethyl]-5-propylimidazolidin-4-one?
The InChIKey is HPILJKRWOYUBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-4-7-15-17(20)19(16(18-15)12-13(2)3)10-9-14-8-5-6-11-21-14/h13-16,18H,4-12H2,1-3H3.
What are the key properties of 2-(2-methylpropyl)-3-[2-(oxan-2-yl)ethyl]-5-propylimidazolidin-4-one?
2-(2-methylpropyl)-3-[2-(oxan-2-yl)ethyl]-5-propylimidazolidin-4-one has a molecular weight of 296.45 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-3-[2-(oxan-2-yl)ethyl]-5-propylimidazolidin-4-one is sourced from PubChem (CID 106000199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).