(1S,5R)-N-[1-(4-bromo-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(4-cyano-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(2,6-dimethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-fluoro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[2-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C121H161BrClF7N16O14 — CID 157164009

IUPAC(1S,5R)-N-[1-(4-bromo-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(4-cyano-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(2,6-dimethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-fluoro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[2-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(COc1cccnc1C(F)(F)F)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1cc(Br)ccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1cc(C#N)ccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1cc(C(F)(F)F)ccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1cc(Cl)ccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1cc(F)ccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1cccc(C)c1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C18H23F3N2O2.C18H23N3O2.C18H26N2O2.C17H23BrN2O2.C17H23ClN2O2.C17H23FN2O2.C16H20F3N3O2/c1-10-6-11(18(19,20)21)4-5-14(10)25-9-17(2,3)23-16(24)15-12-7-22-8-13(12)15;1-11-6-12(7-19)4-5-15(11)23-10-18(2,3)21-17(22)16-13-8-20-9-14(13)16;1-11-6-5-7-12(2)16(11)22-10-18(3,4)20-17(21)15-13-8-19-9-14(13)15;3*1-10-6-11(18)4-5-14(10)22-9-17(2,3)20-16(21)15-12-7-19-8-13(12)15;1-15(2,22-14(23)12-9-6-20-7-10(9)12)8-24-11-4-3-5-21-13(11)16(17,18)19/h4-6,12-13,15,22H,7-9H2,1-3H3,(H,23,24);4-6,13-14,16,20H,8-10H2,1-3H3,(H,21,22);5-7,13-15,19H,8-10H2,1-4H3,(H,20,21);3*4-6,12-13,15,19H,7-9H2,1-3H3,(H,20,21);3-5,9-10,12,20H,6-8H2,1-2H3,(H,22,23)/t12-,13+,15?;13-,14+,16?;13-,14+,15?;3*12-,13+,15?;9-,10+,12?
InChIKeyAMRWMVFXNZTCDX-PFHFWXGBSA-N
MW2312.06 g/mol
LogP15.00
Rot. Bonds35

About (1S,5R)-N-[1-(4-bromo-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(4-cyano-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(2,6-dimethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-fluoro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[2-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

(1S,5R)-N-[1-(4-bromo-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(4-cyano-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(2,6-dimethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-fluoro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[2-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 157164009) has the molecular formula C121H161BrClF7N16O14 and a molecular weight of 2312.06 g/mol. Its IUPAC name is (1S,5R)-N-[1-(4-bromo-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(4-cyano-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(2,6-dimethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-fluoro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[2-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-[1-(4-bromo-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(4-cyano-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(2,6-dimethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-fluoro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[2-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID157164009
Molecular FormulaC121H161BrClF7N16O14
Molecular Weight2312.06 g/mol
Exact Mass2309.11
IUPAC Name(1S,5R)-N-[1-(4-bromo-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(4-cyano-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(2,6-dimethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-fluoro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[2-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(COc1cccnc1C(F)(F)F)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1cc(Br)ccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1cc(C#N)ccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1cc(C(F)(F)F)ccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1cc(Cl)ccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1cc(F)ccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1cccc(C)c1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C18H23F3N2O2.C18H23N3O2.C18H26N2O2.C17H23BrN2O2.C17H23ClN2O2.C17H23FN2O2.C16H20F3N3O2/c1-10-6-11(18(19,20)21)4-5-14(10)25-9-17(2,3)23-16(24)15-12-7-22-8-13(12)15;1-11-6-12(7-19)4-5-15(11)23-10-18(2,3)21-17(22)16-13-8-20-9-14(13)16;1-11-6-5-7-12(2)16(11)22-10-18(3,4)20-17(21)15-13-8-19-9-14(13)15;3*1-10-6-11(18)4-5-14(10)22-9-17(2,3)20-16(21)15-12-7-19-8-13(12)15;1-15(2,22-14(23)12-9-6-20-7-10(9)12)8-24-11-4-3-5-21-13(11)16(17,18)19/h4-6,12-13,15,22H,7-9H2,1-3H3,(H,23,24);4-6,13-14,16,20H,8-10H2,1-3H3,(H,21,22);5-7,13-15,19H,8-10H2,1-4H3,(H,20,21);3*4-6,12-13,15,19H,7-9H2,1-3H3,(H,20,21);3-5,9-10,12,20H,6-8H2,1-2H3,(H,22,23)/t12-,13+,15?;13-,14+,16?;13-,14+,15?;3*12-,13+,15?;9-,10+,12?
InChIKeyAMRWMVFXNZTCDX-PFHFWXGBSA-N
XLogP15.00
TPSA389.20 Ų
H-Bond Donors14
H-Bond Acceptors23
Rotatable Bonds35
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002312.06
LogP ≤ 515.00
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1023

Analyze (1S,5R)-N-[1-(4-bromo-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(4-cyano-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(2,6-dimethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-fluoro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[2-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide 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

(1S,5R)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-cyano-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2,6-dimethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;bis((1S,5R)-N-(2-quinolin-4-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide);(1R,5S)-N-[2-[3-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 159610154
(1R,5S)-N-[1-(4-cyano-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2,6-dimethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-1-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(3-methyl-2-pyridinyl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-[[2-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[3-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 161258082
(1S,5R)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(4-cyano-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(2,6-dimethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-quinolin-4-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[3-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 161547088
(1S,5R)-N-[1-(4-bromo-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-cyclohexylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-fluoro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-methyl-4-naphthalen-2-ylbutan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-quinolin-4-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 158838839

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-[1-(4-bromo-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(4-cyano-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(2,6-dimethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-fluoro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[2-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1S,5R)-N-[1-(4-bromo-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(4-cyano-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(2,6-dimethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-fluoro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[2-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 157164009) is (1S,5R)-N-[1-(4-bromo-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(4-cyano-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(2,6-dimethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-fluoro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[2-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1S,5R)-N-[1-(4-bromo-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(4-cyano-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(2,6-dimethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-fluoro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[2-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1S,5R)-N-[1-(4-bromo-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(4-cyano-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(2,6-dimethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-fluoro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[2-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)(COc1cccnc1C(F)(F)F)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1cc(Br)ccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1cc(C#N)ccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1cc(C(F)(F)F)ccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1cc(Cl)ccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1cc(F)ccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1cccc(C)c1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.
What is the InChIKey of (1S,5R)-N-[1-(4-bromo-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(4-cyano-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(2,6-dimethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-fluoro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[2-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is AMRWMVFXNZTCDX-PFHFWXGBSA-N. The full InChI is InChI=1S/C18H23F3N2O2.C18H23N3O2.C18H26N2O2.C17H23BrN2O2.C17H23ClN2O2.C17H23FN2O2.C16H20F3N3O2/c1-10-6-11(18(19,20)21)4-5-14(10)25-9-17(2,3)23-16(24)15-12-7-22-8-13(12)15;1-11-6-12(7-19)4-5-15(11)23-10-18(2,3)21-17(22)16-13-8-20-9-14(13)16;1-11-6-5-7-12(2)16(11)22-10-18(3,4)20-17(21)15-13-8-19-9-14(13)15;3*1-10-6-11(18)4-5-14(10)22-9-17(2,3)20-16(21)15-12-7-19-8-13(12)15;1-15(2,22-14(23)12-9-6-20-7-10(9)12)8-24-11-4-3-5-21-13(11)16(17,18)19/h4-6,12-13,15,22H,7-9H2,1-3H3,(H,23,24);4-6,13-14,16,20H,8-10H2,1-3H3,(H,21,22);5-7,13-15,19H,8-10H2,1-4H3,(H,20,21);3*4-6,12-13,15,19H,7-9H2,1-3H3,(H,20,21);3-5,9-10,12,20H,6-8H2,1-2H3,(H,22,23)/t12-,13+,15?;13-,14+,16?;13-,14+,15?;3*12-,13+,15?;9-,10+,12?.
What are the key properties of (1S,5R)-N-[1-(4-bromo-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(4-cyano-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(2,6-dimethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-fluoro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[2-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1S,5R)-N-[1-(4-bromo-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(4-cyano-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(2,6-dimethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-fluoro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[2-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 2312.06 g/mol, XLogP of 15.00, 35 rotatable bonds, 14 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-[1-(4-bromo-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-chloro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(4-cyano-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(2,6-dimethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-fluoro-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[2-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 157164009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).