N-[(2S,3R)-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcyclobutyl)oxy-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide

C18H27F3N2O3 — CID 175899412

IUPACN-[(2S,3R)-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcyclobutyl)oxy-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide
SMILESC[C@@H](OC1(C)CCC1)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@@H]2[C@H](C1)C2(C)C
InChIInChI=1S/C18H27F3N2O3/c1-10(26-17(4)6-5-7-17)13(22-15(25)18(19,20)21)14(24)23-8-11-12(9-23)16(11,2)3/h10-13H,5-9H2,1-4H3,(H,22,25)/t10-,11-,12+,13+/m1/s1
InChIKeyFYNBRZPSKUACSB-NDBYEHHHSA-N
MW376.42 g/mol
LogP2.50
Rot. Bonds5

About N-[(2S,3R)-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcyclobutyl)oxy-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide

N-[(2S,3R)-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcyclobutyl)oxy-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 175899412) has the molecular formula C18H27F3N2O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[(2S,3R)-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcyclobutyl)oxy-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(2S,3R)-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcyclobutyl)oxy-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide
PubChem CID175899412
Molecular FormulaC18H27F3N2O3
Molecular Weight376.42 g/mol
Exact Mass376.20
IUPAC NameN-[(2S,3R)-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcyclobutyl)oxy-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide
SMILESC[C@@H](OC1(C)CCC1)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@@H]2[C@H](C1)C2(C)C
InChIInChI=1S/C18H27F3N2O3/c1-10(26-17(4)6-5-7-17)13(22-15(25)18(19,20)21)14(24)23-8-11-12(9-23)16(11,2)3/h10-13H,5-9H2,1-4H3,(H,22,25)/t10-,11-,12+,13+/m1/s1
InChIKeyFYNBRZPSKUACSB-NDBYEHHHSA-N
XLogP2.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2S,3R)-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcyclobutyl)oxy-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide with MolForge

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Related Compounds

N-[1-oxo-1-piperidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]acetamide
CID 164604257
N-[1-(4,4-difluoropiperidin-1-yl)-1-oxo-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]acetamide;ethane
CID 164604385
N-[1-(4,4-difluoropiperidin-1-yl)-1-oxo-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]acetamide
CID 164604386
N-[(3R)-3-cyclopropyloxy-1-oxo-1-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]-2,2,2-trifluoroacetamide;N-propan-2-ylformamide
CID 167481289
(3R)-3-cyclobutyloxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;N-propan-2-ylformamide;2,2,2-trifluoroacetamide
CID 167481633
acetaldehyde;N,6,6-trimethyl-3-[2-(methylamino)-3-[1-(trifluoromethyl)cyclobutyl]oxybutanoyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 167481967
(1R,2S,5S)-N-(cyanomethyl)-6,6-dimethyl-3-[(2S,3R)-3-(1-methylcyclopropyl)oxy-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 167521627
(1R,2S,5S)-N-(cyanomethyl)-3-[(2S,3R)-3-methoxy-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 167521940
(1R,2S,5S)-N-(cyanomethyl)-6,6-dimethyl-3-[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 167523104
(1R,2S,5S)-N-(cyanomethyl)-3-[(2S,3R)-3-(1-cyclopropylcyclopropyl)oxy-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 167523234
(1R,2S,5S)-N-(1-cyanoethyl)-3-[3-(3,3-difluorocyclobutyl)oxypropanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 169655764
(1R,2S,5S)-3-[(2S,3R)-3-methoxy-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-N,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 169655793

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcyclobutyl)oxy-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(2S,3R)-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcyclobutyl)oxy-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide (CID 175899412) is N-[(2S,3R)-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcyclobutyl)oxy-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(2S,3R)-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcyclobutyl)oxy-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(2S,3R)-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcyclobutyl)oxy-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide is C[C@@H](OC1(C)CCC1)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@@H]2[C@H](C1)C2(C)C.
What is the InChIKey of N-[(2S,3R)-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcyclobutyl)oxy-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is FYNBRZPSKUACSB-NDBYEHHHSA-N. The full InChI is InChI=1S/C18H27F3N2O3/c1-10(26-17(4)6-5-7-17)13(22-15(25)18(19,20)21)14(24)23-8-11-12(9-23)16(11,2)3/h10-13H,5-9H2,1-4H3,(H,22,25)/t10-,11-,12+,13+/m1/s1.
What are the key properties of N-[(2S,3R)-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcyclobutyl)oxy-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide?
N-[(2S,3R)-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcyclobutyl)oxy-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 376.42 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcyclobutyl)oxy-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 175899412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).