1-(2-methyl-2-morpholin-4-ylpropanoyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one

C14H22F3N3O3 — CID 128593655

IUPAC1-(2-methyl-2-morpholin-4-ylpropanoyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
SMILESCC(C)(C(=O)N1CC(=O)N(CCC(F)(F)F)C1)N1CCOCC1
InChIInChI=1S/C14H22F3N3O3/c1-13(2,20-5-7-23-8-6-20)12(22)19-9-11(21)18(10-19)4-3-14(15,16)17/h3-10H2,1-2H3
InChIKeyARGYTGUMXCPFET-UHFFFAOYSA-N
MW337.34 g/mol
LogP0.68
Rot. Bonds4

About 1-(2-methyl-2-morpholin-4-ylpropanoyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one

1-(2-methyl-2-morpholin-4-ylpropanoyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one (PubChem CID 128593655) has the molecular formula C14H22F3N3O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is 1-(2-methyl-2-morpholin-4-ylpropanoyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one.

Molecular Properties

Compound Name1-(2-methyl-2-morpholin-4-ylpropanoyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
PubChem CID128593655
Molecular FormulaC14H22F3N3O3
Molecular Weight337.34 g/mol
Exact Mass337.16
IUPAC Name1-(2-methyl-2-morpholin-4-ylpropanoyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
SMILESCC(C)(C(=O)N1CC(=O)N(CCC(F)(F)F)C1)N1CCOCC1
InChIInChI=1S/C14H22F3N3O3/c1-13(2,20-5-7-23-8-6-20)12(22)19-9-11(21)18(10-19)4-3-14(15,16)17/h3-10H2,1-2H3
InChIKeyARGYTGUMXCPFET-UHFFFAOYSA-N
XLogP0.68
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2-morpholin-4-ylpropanoyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The IUPAC name of 1-(2-methyl-2-morpholin-4-ylpropanoyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one (CID 128593655) is 1-(2-methyl-2-morpholin-4-ylpropanoyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one.
What is the SMILES notation for 1-(2-methyl-2-morpholin-4-ylpropanoyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The canonical SMILES for 1-(2-methyl-2-morpholin-4-ylpropanoyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one is CC(C)(C(=O)N1CC(=O)N(CCC(F)(F)F)C1)N1CCOCC1.
What is the InChIKey of 1-(2-methyl-2-morpholin-4-ylpropanoyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The InChIKey is ARGYTGUMXCPFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O3/c1-13(2,20-5-7-23-8-6-20)12(22)19-9-11(21)18(10-19)4-3-14(15,16)17/h3-10H2,1-2H3.
What are the key properties of 1-(2-methyl-2-morpholin-4-ylpropanoyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
1-(2-methyl-2-morpholin-4-ylpropanoyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one has a molecular weight of 337.34 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2-morpholin-4-ylpropanoyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one is sourced from PubChem (CID 128593655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).