1-(2-ethyl-2-methoxybutyl)-3-(2-methoxyethyl)-4-(trifluoromethyl)imidazolidin-2-one

C14H25F3N2O3 — CID 139925602

IUPAC1-(2-ethyl-2-methoxybutyl)-3-(2-methoxyethyl)-4-(trifluoromethyl)imidazolidin-2-one
SMILESCCC(CC)(CN1CC(C(F)(F)F)N(CCOC)C1=O)OC
InChIInChI=1S/C14H25F3N2O3/c1-5-13(6-2,22-4)10-18-9-11(14(15,16)17)19(12(18)20)7-8-21-3/h11H,5-10H2,1-4H3
InChIKeyIDNYRIFMWFXBFT-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.51
Rot. Bonds8

About 1-(2-ethyl-2-methoxybutyl)-3-(2-methoxyethyl)-4-(trifluoromethyl)imidazolidin-2-one

1-(2-ethyl-2-methoxybutyl)-3-(2-methoxyethyl)-4-(trifluoromethyl)imidazolidin-2-one (PubChem CID 139925602) has the molecular formula C14H25F3N2O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-(2-ethyl-2-methoxybutyl)-3-(2-methoxyethyl)-4-(trifluoromethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-ethyl-2-methoxybutyl)-3-(2-methoxyethyl)-4-(trifluoromethyl)imidazolidin-2-one
PubChem CID139925602
Molecular FormulaC14H25F3N2O3
Molecular Weight326.36 g/mol
Exact Mass326.18
IUPAC Name1-(2-ethyl-2-methoxybutyl)-3-(2-methoxyethyl)-4-(trifluoromethyl)imidazolidin-2-one
SMILESCCC(CC)(CN1CC(C(F)(F)F)N(CCOC)C1=O)OC
InChIInChI=1S/C14H25F3N2O3/c1-5-13(6-2,22-4)10-18-9-11(14(15,16)17)19(12(18)20)7-8-21-3/h11H,5-10H2,1-4H3
InChIKeyIDNYRIFMWFXBFT-UHFFFAOYSA-N
XLogP2.51
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-2-methoxybutyl)-3-(2-methoxyethyl)-4-(trifluoromethyl)imidazolidin-2-one?
The IUPAC name of 1-(2-ethyl-2-methoxybutyl)-3-(2-methoxyethyl)-4-(trifluoromethyl)imidazolidin-2-one (CID 139925602) is 1-(2-ethyl-2-methoxybutyl)-3-(2-methoxyethyl)-4-(trifluoromethyl)imidazolidin-2-one.
What is the SMILES notation for 1-(2-ethyl-2-methoxybutyl)-3-(2-methoxyethyl)-4-(trifluoromethyl)imidazolidin-2-one?
The canonical SMILES for 1-(2-ethyl-2-methoxybutyl)-3-(2-methoxyethyl)-4-(trifluoromethyl)imidazolidin-2-one is CCC(CC)(CN1CC(C(F)(F)F)N(CCOC)C1=O)OC.
What is the InChIKey of 1-(2-ethyl-2-methoxybutyl)-3-(2-methoxyethyl)-4-(trifluoromethyl)imidazolidin-2-one?
The InChIKey is IDNYRIFMWFXBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O3/c1-5-13(6-2,22-4)10-18-9-11(14(15,16)17)19(12(18)20)7-8-21-3/h11H,5-10H2,1-4H3.
What are the key properties of 1-(2-ethyl-2-methoxybutyl)-3-(2-methoxyethyl)-4-(trifluoromethyl)imidazolidin-2-one?
1-(2-ethyl-2-methoxybutyl)-3-(2-methoxyethyl)-4-(trifluoromethyl)imidazolidin-2-one has a molecular weight of 326.36 g/mol, XLogP of 2.51, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-2-methoxybutyl)-3-(2-methoxyethyl)-4-(trifluoromethyl)imidazolidin-2-one is sourced from PubChem (CID 139925602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).