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

C16H30N2O2 — CID 106000051

IUPAC3-[2-(oxan-2-yl)ethyl]-5-propan-2-yl-2-propylimidazolidin-4-one
SMILESCCCC1NC(C(C)C)C(=O)N1CCC1CCCCO1
InChIInChI=1S/C16H30N2O2/c1-4-7-14-17-15(12(2)3)16(19)18(14)10-9-13-8-5-6-11-20-13/h12-15,17H,4-11H2,1-3H3
InChIKeySUGMWVBPFQQVNG-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.53
Rot. Bonds6

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

3-[2-(oxan-2-yl)ethyl]-5-propan-2-yl-2-propylimidazolidin-4-one (PubChem CID 106000051) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-[2-(oxan-2-yl)ethyl]-5-propan-2-yl-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-[2-(oxan-2-yl)ethyl]-5-propan-2-yl-2-propylimidazolidin-4-one
PubChem CID106000051
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name3-[2-(oxan-2-yl)ethyl]-5-propan-2-yl-2-propylimidazolidin-4-one
SMILESCCCC1NC(C(C)C)C(=O)N1CCC1CCCCO1
InChIInChI=1S/C16H30N2O2/c1-4-7-14-17-15(12(2)3)16(19)18(14)10-9-13-8-5-6-11-20-13/h12-15,17H,4-11H2,1-3H3
InChIKeySUGMWVBPFQQVNG-UHFFFAOYSA-N
XLogP2.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-3-[2-(oxolan-2-yl)ethyl]-5-propan-2-ylimidazolidin-4-one
CID 83249092
2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]-5-propan-2-ylimidazolidin-4-one
CID 83249091
5-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]-2-propylimidazolidin-4-one
CID 83248880
5-ethyl-3-[2-(oxolan-2-yl)ethyl]-2-propylimidazolidin-4-one
CID 83248789
2-(2-methylpropyl)-3-[2-(oxan-2-yl)ethyl]-5-propylimidazolidin-4-one
CID 106000199
2-methyl-3-(oxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
CID 83256490
3-[(2-methylcyclohexyl)methyl]-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83256565
5-ethyl-5-methyl-3-[2-(oxan-2-yl)ethyl]-2-propylimidazolidin-4-one
CID 106000174
5-methyl-2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83249314
3-(5-methylhexyl)-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83260431
5-propan-2-yl-3-(2-propan-2-yloxyethyl)-2-propylimidazolidin-4-one
CID 104767674
2-cyclopentyl-3-(oxolan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
CID 83251558

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxan-2-yl)ethyl]-5-propan-2-yl-2-propylimidazolidin-4-one?
The IUPAC name of 3-[2-(oxan-2-yl)ethyl]-5-propan-2-yl-2-propylimidazolidin-4-one (CID 106000051) is 3-[2-(oxan-2-yl)ethyl]-5-propan-2-yl-2-propylimidazolidin-4-one.
What is the SMILES notation for 3-[2-(oxan-2-yl)ethyl]-5-propan-2-yl-2-propylimidazolidin-4-one?
The canonical SMILES for 3-[2-(oxan-2-yl)ethyl]-5-propan-2-yl-2-propylimidazolidin-4-one is CCCC1NC(C(C)C)C(=O)N1CCC1CCCCO1.
What is the InChIKey of 3-[2-(oxan-2-yl)ethyl]-5-propan-2-yl-2-propylimidazolidin-4-one?
The InChIKey is SUGMWVBPFQQVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-7-14-17-15(12(2)3)16(19)18(14)10-9-13-8-5-6-11-20-13/h12-15,17H,4-11H2,1-3H3.
What are the key properties of 3-[2-(oxan-2-yl)ethyl]-5-propan-2-yl-2-propylimidazolidin-4-one?
3-[2-(oxan-2-yl)ethyl]-5-propan-2-yl-2-propylimidazolidin-4-one has a molecular weight of 282.43 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxan-2-yl)ethyl]-5-propan-2-yl-2-propylimidazolidin-4-one is sourced from PubChem (CID 106000051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).