(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

C138H186BrCl3FN17O11 — CID 158838839

IUPAC(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
SMILESCC(C)(CCc1ccc2ccccc2c1)NC(=O)C1[C@H]2CNC[C@@H]12.CC(C)(Cc1ccc(Cl)c(Cl)c1)NC(=O)C1[C@H]2CNC[C@@H]12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)C1CCCCC1.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ccnc2ccccc12.Cc1cc(Br)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.Cc1ccccc1CC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C21H26N2O.C18H21N3O.C17H23BrN2O2.C17H23ClN2O2.C17H23FN2O2.C17H24N2O.C16H20Cl2N2O.C15H26N2O/c1-21(2,23-20(24)19-17-12-22-13-18(17)19)10-9-14-7-8-15-5-3-4-6-16(15)11-14;1-18(2,21-17(22)16-12-9-19-10-13(12)16)14-7-8-20-15-6-4-3-5-11(14)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;1-11-6-4-5-7-12(11)8-17(2,3)19-16(20)15-13-9-18-10-14(13)15;1-16(2,6-9-3-4-12(17)13(18)5-9)20-15(21)14-10-7-19-8-11(10)14;1-15(2,10-6-4-3-5-7-10)17-14(18)13-11-8-16-9-12(11)13/h3-8,11,17-19,22H,9-10,12-13H2,1-2H3,(H,23,24);3-8,12-13,16,19H,9-10H2,1-2H3,(H,21,22);3*4-6,12-13,15,19H,7-9H2,1-3H3,(H,20,21);4-7,13-15,18H,8-10H2,1-3H3,(H,19,20);3-5,10-11,14,19H,6-8H2,1-2H3,(H,20,21);10-13,16H,3-9H2,1-2H3,(H,17,18)/t17-,18+,19?;12-,13+,16?;3*12-,13+,15?;13-,14+,15?;10-,11+,14?;11-,12+,13?
InChIKeyIXZARHCYWCQNEC-BHZJTTJKSA-N
MW2464.37 g/mol
LogP18.66
Rot. Bonds34

About (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

(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 (PubChem CID 158838839) has the molecular formula C138H186BrCl3FN17O11 and a molecular weight of 2464.37 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;(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.

Molecular Properties

Compound Name(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
PubChem CID158838839
Molecular FormulaC138H186BrCl3FN17O11
Molecular Weight2464.37 g/mol
Exact Mass2460.28
IUPAC Name(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
SMILESCC(C)(CCc1ccc2ccccc2c1)NC(=O)C1[C@H]2CNC[C@@H]12.CC(C)(Cc1ccc(Cl)c(Cl)c1)NC(=O)C1[C@H]2CNC[C@@H]12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)C1CCCCC1.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ccnc2ccccc12.Cc1cc(Br)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.Cc1ccccc1CC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C21H26N2O.C18H21N3O.C17H23BrN2O2.C17H23ClN2O2.C17H23FN2O2.C17H24N2O.C16H20Cl2N2O.C15H26N2O/c1-21(2,23-20(24)19-17-12-22-13-18(17)19)10-9-14-7-8-15-5-3-4-6-16(15)11-14;1-18(2,21-17(22)16-12-9-19-10-13(12)16)14-7-8-20-15-6-4-3-5-11(14)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;1-11-6-4-5-7-12(11)8-17(2,3)19-16(20)15-13-9-18-10-14(13)15;1-16(2,6-9-3-4-12(17)13(18)5-9)20-15(21)14-10-7-19-8-11(10)14;1-15(2,10-6-4-3-5-7-10)17-14(18)13-11-8-16-9-12(11)13/h3-8,11,17-19,22H,9-10,12-13H2,1-2H3,(H,23,24);3-8,12-13,16,19H,9-10H2,1-2H3,(H,21,22);3*4-6,12-13,15,19H,7-9H2,1-3H3,(H,20,21);4-7,13-15,18H,8-10H2,1-3H3,(H,19,20);3-5,10-11,14,19H,6-8H2,1-2H3,(H,20,21);10-13,16H,3-9H2,1-2H3,(H,17,18)/t17-,18+,19?;12-,13+,16?;3*12-,13+,15?;13-,14+,15?;10-,11+,14?;11-,12+,13?
InChIKeyIXZARHCYWCQNEC-BHZJTTJKSA-N
XLogP18.66
TPSA369.62 Ų
H-Bond Donors16
H-Bond Acceptors20
Rotatable Bonds34
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002464.37
LogP ≤ 518.66
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1020

Analyze (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 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-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
(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
(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

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;(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?
The IUPAC name of (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) is (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.
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;(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?
The canonical SMILES for (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 is CC(C)(CCc1ccc2ccccc2c1)NC(=O)C1[C@H]2CNC[C@@H]12.CC(C)(Cc1ccc(Cl)c(Cl)c1)NC(=O)C1[C@H]2CNC[C@@H]12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)C1CCCCC1.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ccnc2ccccc12.Cc1cc(Br)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.Cc1ccccc1CC(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;(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?
The InChIKey is IXZARHCYWCQNEC-BHZJTTJKSA-N. The full InChI is InChI=1S/C21H26N2O.C18H21N3O.C17H23BrN2O2.C17H23ClN2O2.C17H23FN2O2.C17H24N2O.C16H20Cl2N2O.C15H26N2O/c1-21(2,23-20(24)19-17-12-22-13-18(17)19)10-9-14-7-8-15-5-3-4-6-16(15)11-14;1-18(2,21-17(22)16-12-9-19-10-13(12)16)14-7-8-20-15-6-4-3-5-11(14)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;1-11-6-4-5-7-12(11)8-17(2,3)19-16(20)15-13-9-18-10-14(13)15;1-16(2,6-9-3-4-12(17)13(18)5-9)20-15(21)14-10-7-19-8-11(10)14;1-15(2,10-6-4-3-5-7-10)17-14(18)13-11-8-16-9-12(11)13/h3-8,11,17-19,22H,9-10,12-13H2,1-2H3,(H,23,24);3-8,12-13,16,19H,9-10H2,1-2H3,(H,21,22);3*4-6,12-13,15,19H,7-9H2,1-3H3,(H,20,21);4-7,13-15,18H,8-10H2,1-3H3,(H,19,20);3-5,10-11,14,19H,6-8H2,1-2H3,(H,20,21);10-13,16H,3-9H2,1-2H3,(H,17,18)/t17-,18+,19?;12-,13+,16?;3*12-,13+,15?;13-,14+,15?;10-,11+,14?;11-,12+,13?.
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;(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?
(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 has a molecular weight of 2464.37 g/mol, XLogP of 18.66, 34 rotatable bonds, 16 hydrogen bond donors, and 20 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;(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 is sourced from PubChem (CID 158838839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).