2,2-diethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]butanamide

C15H25F3N2O — CID 138011799

IUPAC2,2-diethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]butanamide
SMILESCCC(CC)(CC)C(=O)NC[C@@]12CNC[C@]1(C(F)(F)F)C2
InChIInChI=1S/C15H25F3N2O/c1-4-12(5-2,6-3)11(21)20-9-13-7-14(13,10-19-8-13)15(16,17)18/h19H,4-10H2,1-3H3,(H,20,21)/t13-,14-/m1/s1
InChIKeySZZLVMXIDPOIKS-ZIAGYGMSSA-N
MW306.37 g/mol
LogP2.86
Rot. Bonds6

About 2,2-diethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]butanamide

2,2-diethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]butanamide (PubChem CID 138011799) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2,2-diethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]butanamide.

Molecular Properties

Compound Name2,2-diethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]butanamide
PubChem CID138011799
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC Name2,2-diethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]butanamide
SMILESCCC(CC)(CC)C(=O)NC[C@@]12CNC[C@]1(C(F)(F)F)C2
InChIInChI=1S/C15H25F3N2O/c1-4-12(5-2,6-3)11(21)20-9-13-7-14(13,10-19-8-13)15(16,17)18/h19H,4-10H2,1-3H3,(H,20,21)/t13-,14-/m1/s1
InChIKeySZZLVMXIDPOIKS-ZIAGYGMSSA-N
XLogP2.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]butanamide?
The IUPAC name of 2,2-diethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]butanamide (CID 138011799) is 2,2-diethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]butanamide.
What is the SMILES notation for 2,2-diethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]butanamide?
The canonical SMILES for 2,2-diethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]butanamide is CCC(CC)(CC)C(=O)NC[C@@]12CNC[C@]1(C(F)(F)F)C2.
What is the InChIKey of 2,2-diethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]butanamide?
The InChIKey is SZZLVMXIDPOIKS-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H25F3N2O/c1-4-12(5-2,6-3)11(21)20-9-13-7-14(13,10-19-8-13)15(16,17)18/h19H,4-10H2,1-3H3,(H,20,21)/t13-,14-/m1/s1.
What are the key properties of 2,2-diethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]butanamide?
2,2-diethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]butanamide has a molecular weight of 306.37 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]butanamide is sourced from PubChem (CID 138011799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).