N-[3,3-dimethyl-1-oxo-1-(3,3,4-trimethylpyrrolidin-1-yl)butan-2-yl]-2,2,2-trifluoroacetamide

C15H25F3N2O2 — CID 168941880

IUPACN-[3,3-dimethyl-1-oxo-1-(3,3,4-trimethylpyrrolidin-1-yl)butan-2-yl]-2,2,2-trifluoroacetamide
SMILESCC1CN(C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C)CC1(C)C
InChIInChI=1S/C15H25F3N2O2/c1-9-7-20(8-14(9,5)6)11(21)10(13(2,3)4)19-12(22)15(16,17)18/h9-10H,7-8H2,1-6H3,(H,19,22)
InChIKeyUICSUHUREIIKNP-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.58
Rot. Bonds2

About N-[3,3-dimethyl-1-oxo-1-(3,3,4-trimethylpyrrolidin-1-yl)butan-2-yl]-2,2,2-trifluoroacetamide

N-[3,3-dimethyl-1-oxo-1-(3,3,4-trimethylpyrrolidin-1-yl)butan-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 168941880) has the molecular formula C15H25F3N2O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[3,3-dimethyl-1-oxo-1-(3,3,4-trimethylpyrrolidin-1-yl)butan-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3,3-dimethyl-1-oxo-1-(3,3,4-trimethylpyrrolidin-1-yl)butan-2-yl]-2,2,2-trifluoroacetamide
PubChem CID168941880
Molecular FormulaC15H25F3N2O2
Molecular Weight322.37 g/mol
Exact Mass322.19
IUPAC NameN-[3,3-dimethyl-1-oxo-1-(3,3,4-trimethylpyrrolidin-1-yl)butan-2-yl]-2,2,2-trifluoroacetamide
SMILESCC1CN(C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C)CC1(C)C
InChIInChI=1S/C15H25F3N2O2/c1-9-7-20(8-14(9,5)6)11(21)10(13(2,3)4)19-12(22)15(16,17)18/h9-10H,7-8H2,1-6H3,(H,19,22)
InChIKeyUICSUHUREIIKNP-UHFFFAOYSA-N
XLogP2.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3,3-dimethyl-1-oxo-1-(3,3,4-trimethylpyrrolidin-1-yl)butan-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3,3-dimethyl-1-oxo-1-(3,3,4-trimethylpyrrolidin-1-yl)butan-2-yl]-2,2,2-trifluoroacetamide (CID 168941880) is N-[3,3-dimethyl-1-oxo-1-(3,3,4-trimethylpyrrolidin-1-yl)butan-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3,3-dimethyl-1-oxo-1-(3,3,4-trimethylpyrrolidin-1-yl)butan-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3,3-dimethyl-1-oxo-1-(3,3,4-trimethylpyrrolidin-1-yl)butan-2-yl]-2,2,2-trifluoroacetamide is CC1CN(C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C)CC1(C)C.
What is the InChIKey of N-[3,3-dimethyl-1-oxo-1-(3,3,4-trimethylpyrrolidin-1-yl)butan-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is UICSUHUREIIKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O2/c1-9-7-20(8-14(9,5)6)11(21)10(13(2,3)4)19-12(22)15(16,17)18/h9-10H,7-8H2,1-6H3,(H,19,22).
What are the key properties of N-[3,3-dimethyl-1-oxo-1-(3,3,4-trimethylpyrrolidin-1-yl)butan-2-yl]-2,2,2-trifluoroacetamide?
N-[3,3-dimethyl-1-oxo-1-(3,3,4-trimethylpyrrolidin-1-yl)butan-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 322.37 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-dimethyl-1-oxo-1-(3,3,4-trimethylpyrrolidin-1-yl)butan-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 168941880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).