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

C15H25F3N2O2 — CID 167522041

IUPACN-[(2S)-3,3-dimethyl-1-oxo-1-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]butan-2-yl]-2,2,2-trifluoroacetamide
SMILESC[C@H]1CN(C(=O)[C@@H](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)/t9-,10+/m0/s1
InChIKeyUICSUHUREIIKNP-VHSXEESVSA-N
MW322.37 g/mol
LogP2.58
Rot. Bonds2

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

N-[(2S)-3,3-dimethyl-1-oxo-1-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]butan-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 167522041) has the molecular formula C15H25F3N2O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethyl-1-oxo-1-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]butan-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethyl-1-oxo-1-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]butan-2-yl]-2,2,2-trifluoroacetamide
PubChem CID167522041
Molecular FormulaC15H25F3N2O2
Molecular Weight322.37 g/mol
Exact Mass322.19
IUPAC NameN-[(2S)-3,3-dimethyl-1-oxo-1-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]butan-2-yl]-2,2,2-trifluoroacetamide
SMILESC[C@H]1CN(C(=O)[C@@H](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)/t9-,10+/m0/s1
InChIKeyUICSUHUREIIKNP-VHSXEESVSA-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

Analyze N-[(2S)-3,3-dimethyl-1-oxo-1-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]butan-2-yl]-2,2,2-trifluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-dimethyl-1-oxo-1-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]butan-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(2S)-3,3-dimethyl-1-oxo-1-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]butan-2-yl]-2,2,2-trifluoroacetamide (CID 167522041) is N-[(2S)-3,3-dimethyl-1-oxo-1-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]butan-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(2S)-3,3-dimethyl-1-oxo-1-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]butan-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(2S)-3,3-dimethyl-1-oxo-1-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]butan-2-yl]-2,2,2-trifluoroacetamide is C[C@H]1CN(C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)(C)C)CC1(C)C.
What is the InChIKey of N-[(2S)-3,3-dimethyl-1-oxo-1-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]butan-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is UICSUHUREIIKNP-VHSXEESVSA-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)/t9-,10+/m0/s1.
What are the key properties of N-[(2S)-3,3-dimethyl-1-oxo-1-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]butan-2-yl]-2,2,2-trifluoroacetamide?
N-[(2S)-3,3-dimethyl-1-oxo-1-[(4R)-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-[(2S)-3,3-dimethyl-1-oxo-1-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]butan-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 167522041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).