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

C21H34F3N3O4 — CID 167481289

IUPACN-[(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
SMILESCC(C)NC=O.C[C@@H]1C2C(CN1C(=O)C(NC(=O)C(F)(F)F)[C@@H](C)OC1CC1)C2(C)C
InChIInChI=1S/C17H25F3N2O3.C4H9NO/c1-8-12-11(16(12,3)4)7-22(8)14(23)13(9(2)25-10-5-6-10)21-15(24)17(18,19)20;1-4(2)5-3-6/h8-13H,5-7H2,1-4H3,(H,21,24);3-4H,1-2H3,(H,5,6)/t8-,9-,11?,12?,13?;/m1./s1
InChIKeyNXLAFKKXKCYKCL-YVWPZCDLSA-N
MW449.51 g/mol
LogP2.24
Rot. Bonds7

About 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

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 (PubChem CID 167481289) has the molecular formula C21H34F3N3O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID167481289
Molecular FormulaC21H34F3N3O4
Molecular Weight449.51 g/mol
Exact Mass449.25
IUPAC NameN-[(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
SMILESCC(C)NC=O.C[C@@H]1C2C(CN1C(=O)C(NC(=O)C(F)(F)F)[C@@H](C)OC1CC1)C2(C)C
InChIInChI=1S/C17H25F3N2O3.C4H9NO/c1-8-12-11(16(12,3)4)7-22(8)14(23)13(9(2)25-10-5-6-10)21-15(24)17(18,19)20;1-4(2)5-3-6/h8-13H,5-7H2,1-4H3,(H,21,24);3-4H,1-2H3,(H,5,6)/t8-,9-,11?,12?,13?;/m1./s1
InChIKeyNXLAFKKXKCYKCL-YVWPZCDLSA-N
XLogP2.24
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 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 with MolForge

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

Launch Full Analysis

Related Compounds

(1R,2S,5S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-3-[(2S,3R)-3-cyclopropyloxy-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 167480951
(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-[(2S)-1-amino-1-oxo-3-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]propan-2-yl]-3-[(2S,3R)-3-cyclopropyloxy-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 167482287
(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
N-[(2R,3R)-1-[(1R,2S,5S)-2-[[[(1S)-1-cyano-2-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]ethyl]amino]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-cyclopropyloxy-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide
CID 169655692
(1R,2S,5S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-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 169655722
(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
N-[(2S,3R)-3-cyclobutyloxy-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide
CID 169655812

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)NC=O.C[C@@H]1C2C(CN1C(=O)C(NC(=O)C(F)(F)F)[C@@H](C)OC1CC1)C2(C)C.
What is the InChIKey of 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?
The InChIKey is NXLAFKKXKCYKCL-YVWPZCDLSA-N. The full InChI is InChI=1S/C17H25F3N2O3.C4H9NO/c1-8-12-11(16(12,3)4)7-22(8)14(23)13(9(2)25-10-5-6-10)21-15(24)17(18,19)20;1-4(2)5-3-6/h8-13H,5-7H2,1-4H3,(H,21,24);3-4H,1-2H3,(H,5,6)/t8-,9-,11?,12?,13?;/m1./s1.
What are the key properties of 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?
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 has a molecular weight of 449.51 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167481289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).