N-(2-hydroxy-2-methylpropyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C12H19F3N2O3 — CID 79382161

IUPACN-(2-hydroxy-2-methylpropyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCN(CC(C)(C)O)C(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C12H19F3N2O3/c1-11(2,20)6-16(3)10(19)8-4-9(18)17(5-8)7-12(13,14)15/h8,20H,4-7H2,1-3H3
InChIKeyUCUNOBRZDOOQHP-UHFFFAOYSA-N
MW296.29 g/mol
LogP0.63
Rot. Bonds4

About N-(2-hydroxy-2-methylpropyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

N-(2-hydroxy-2-methylpropyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 79382161) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID79382161
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCN(CC(C)(C)O)C(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C12H19F3N2O3/c1-11(2,20)6-16(3)10(19)8-4-9(18)17(5-8)7-12(13,14)15/h8,20H,4-7H2,1-3H3
InChIKeyUCUNOBRZDOOQHP-UHFFFAOYSA-N
XLogP0.63
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 79382161) is N-(2-hydroxy-2-methylpropyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CN(CC(C)(C)O)C(=O)C1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is UCUNOBRZDOOQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-11(2,20)6-16(3)10(19)8-4-9(18)17(5-8)7-12(13,14)15/h8,20H,4-7H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-(2-hydroxy-2-methylpropyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 296.29 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 79382161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).