N-[1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2,2-difluoroacetamide

C15H24F2N2O2 — CID 168941956

IUPACN-[1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2,2-difluoroacetamide
SMILESCC(C)(C)C(NC(=O)C(F)F)C(=O)N1CC2C(C1)C2(C)C
InChIInChI=1S/C15H24F2N2O2/c1-14(2,3)10(18-12(20)11(16)17)13(21)19-6-8-9(7-19)15(8,4)5/h8-11H,6-7H2,1-5H3,(H,18,20)
InChIKeyCCUGYQBWLPIPIM-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.90
Rot. Bonds3

About N-[1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2,2-difluoroacetamide

N-[1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2,2-difluoroacetamide (PubChem CID 168941956) has the molecular formula C15H24F2N2O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2,2-difluoroacetamide
PubChem CID168941956
Molecular FormulaC15H24F2N2O2
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC NameN-[1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2,2-difluoroacetamide
SMILESCC(C)(C)C(NC(=O)C(F)F)C(=O)N1CC2C(C1)C2(C)C
InChIInChI=1S/C15H24F2N2O2/c1-14(2,3)10(18-12(20)11(16)17)13(21)19-6-8-9(7-19)15(8,4)5/h8-11H,6-7H2,1-5H3,(H,18,20)
InChIKeyCCUGYQBWLPIPIM-UHFFFAOYSA-N
XLogP1.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-amino-3-isopropyl-4-methylpentan-1-one
CID 44433957
(S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-amino-4,4-dimethylpentan-1-one
CID 44433950
(1R,2S,5S)-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-N-[2-(2-oxopyrrolidin-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 168291677
(1R,2S,5S)-N-[(2S)-1-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 157010397
N-[1-(3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide
CID 21339075
2-Ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)piperazin-1-yl]butan-1-one
CID 58171970
2,2,2-trifluoro-1-[(6R)-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-6-(2-methylpropyl)-4,7-diazaspiro[2.5]octan-4-yl]ethanone
CID 58542353
N-[(2S)-1-[(1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide
CID 59891418
[(2S)-4,4-difluoropyrrolidin-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 68260773
[(2S)-4,4-difluoropyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 68260845
(4,4-Difluoropyrrolidin-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 77444049
1-[(6R)-6-ethyl-7-[(2S)-pyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone
CID 87252695

Frequently Asked Questions

What is the IUPAC name of N-[1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2,2-difluoroacetamide?
The IUPAC name of N-[1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2,2-difluoroacetamide (CID 168941956) is N-[1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2,2-difluoroacetamide?
The canonical SMILES for N-[1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2,2-difluoroacetamide is CC(C)(C)C(NC(=O)C(F)F)C(=O)N1CC2C(C1)C2(C)C.
What is the InChIKey of N-[1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2,2-difluoroacetamide?
The InChIKey is CCUGYQBWLPIPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2O2/c1-14(2,3)10(18-12(20)11(16)17)13(21)19-6-8-9(7-19)15(8,4)5/h8-11H,6-7H2,1-5H3,(H,18,20).
What are the key properties of N-[1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2,2-difluoroacetamide?
N-[1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2,2-difluoroacetamide has a molecular weight of 302.37 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2,2-difluoroacetamide is sourced from PubChem (CID 168941956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).