N-[(2S)-3,3-dimethyl-1-oxo-1-[(1R,2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]-2,2,2-trifluoroacetamide

C16H25F3N2O2 — CID 167203414

IUPACN-[(2S)-3,3-dimethyl-1-oxo-1-[(1R,2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]-2,2,2-trifluoroacetamide
SMILESC[C@@H]1[C@@H]2C(CN1C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)(C)C)C2(C)C
InChIInChI=1S/C16H25F3N2O2/c1-8-10-9(15(10,5)6)7-21(8)12(22)11(14(2,3)4)20-13(23)16(17,18)19/h8-11H,7H2,1-6H3,(H,20,23)/t8-,9?,10-,11-/m1/s1
InChIKeyRADRFUHUGVRGOQ-CBSBEWHRSA-N
MW334.38 g/mol
LogP2.58
Rot. Bonds2

About N-[(2S)-3,3-dimethyl-1-oxo-1-[(1R,2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]-2,2,2-trifluoroacetamide

N-[(2S)-3,3-dimethyl-1-oxo-1-[(1R,2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 167203414) has the molecular formula C16H25F3N2O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethyl-1-oxo-1-[(1R,2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethyl-1-oxo-1-[(1R,2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]-2,2,2-trifluoroacetamide
PubChem CID167203414
Molecular FormulaC16H25F3N2O2
Molecular Weight334.38 g/mol
Exact Mass334.19
IUPAC NameN-[(2S)-3,3-dimethyl-1-oxo-1-[(1R,2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]-2,2,2-trifluoroacetamide
SMILESC[C@@H]1[C@@H]2C(CN1C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)(C)C)C2(C)C
InChIInChI=1S/C16H25F3N2O2/c1-8-10-9(15(10,5)6)7-21(8)12(22)11(14(2,3)4)20-13(23)16(17,18)19/h8-11H,7H2,1-6H3,(H,20,23)/t8-,9?,10-,11-/m1/s1
InChIKeyRADRFUHUGVRGOQ-CBSBEWHRSA-N
XLogP2.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-3,3-dimethyl-1-oxo-1-[(1R,2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]-2,2,2-trifluoroacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-dimethyl-1-oxo-1-[(1R,2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(2S)-3,3-dimethyl-1-oxo-1-[(1R,2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]-2,2,2-trifluoroacetamide (CID 167203414) is N-[(2S)-3,3-dimethyl-1-oxo-1-[(1R,2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(2S)-3,3-dimethyl-1-oxo-1-[(1R,2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(2S)-3,3-dimethyl-1-oxo-1-[(1R,2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]-2,2,2-trifluoroacetamide is C[C@@H]1[C@@H]2C(CN1C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)(C)C)C2(C)C.
What is the InChIKey of N-[(2S)-3,3-dimethyl-1-oxo-1-[(1R,2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is RADRFUHUGVRGOQ-CBSBEWHRSA-N. The full InChI is InChI=1S/C16H25F3N2O2/c1-8-10-9(15(10,5)6)7-21(8)12(22)11(14(2,3)4)20-13(23)16(17,18)19/h8-11H,7H2,1-6H3,(H,20,23)/t8-,9?,10-,11-/m1/s1.
What are the key properties of N-[(2S)-3,3-dimethyl-1-oxo-1-[(1R,2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]-2,2,2-trifluoroacetamide?
N-[(2S)-3,3-dimethyl-1-oxo-1-[(1R,2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 334.38 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-[(1R,2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 167203414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).