propan-2-yl N-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate

C250H266ClF8N19O30S2 — CID 161113234

IUPACpropan-2-yl N-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(-c3ccc(C(F)(F)F)cc3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(-c3ccc(F)cc3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(-c3cscn3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CCOc1ccc2c(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(-c3ccc(Cl)cc3)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(-c3ccc(F)cc3)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.Cc1nc(-c2c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)co1.Cc1nc(-c2c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)cs1
InChIInChI=1S/C34H35F3N2O4.C33H35FN2O4.C31H31F3N2O3.C31H35N3O5.C31H35N3O4S.C30H31ClN2O3.C30H31FN2O3.C30H33N3O4S/c1-21(2)42-33(40)38-25-12-8-23(9-13-25)32-31(22-6-10-24(11-7-22)34(35,36)37)29-15-14-28(43-27-16-18-41-19-17-27)20-30(29)39(32)26-4-3-5-26;1-21(2)39-33(37)35-25-12-8-23(9-13-25)32-31(22-6-10-24(34)11-7-22)29-15-14-28(40-27-16-18-38-19-17-27)20-30(29)36(32)26-4-3-5-26;1-4-38-25-16-17-26-27(18-25)36(24-6-5-7-24)29(28(26)20-8-12-22(13-9-20)31(32,33)34)21-10-14-23(15-11-21)35-30(37)39-19(2)3;1-19(2)38-31(35)33-22-9-7-21(8-10-22)30-29(27-18-37-20(3)32-27)26-12-11-25(39-24-13-15-36-16-14-24)17-28(26)34(30)23-5-4-6-23;1-19(2)37-31(35)33-22-9-7-21(8-10-22)30-29(27-18-39-20(3)32-27)26-12-11-25(38-24-13-15-36-16-14-24)17-28(26)34(30)23-5-4-6-23;2*1-4-35-25-16-17-26-27(18-25)33(24-6-5-7-24)29(28(26)20-8-12-22(31)13-9-20)21-10-14-23(15-11-21)32-30(34)36-19(2)3;1-19(2)36-30(34)32-21-8-6-20(7-9-21)29-28(26-17-38-18-31-26)25-11-10-24(37-23-12-14-35-15-13-23)16-27(25)33(29)22-4-3-5-22/h6-15,20-21,26-27H,3-5,16-19H2,1-2H3,(H,38,40);6-15,20-21,26-27H,3-5,16-19H2,1-2H3,(H,35,37);8-19,24H,4-7H2,1-3H3,(H,35,37);2*7-12,17-19,23-24H,4-6,13-16H2,1-3H3,(H,33,35);2*8-19,24H,4-7H2,1-3H3,(H,32,34);6-11,16-19,22-23H,3-5,12-15H2,1-2H3,(H,32,34)
InChIKeyUJYZELMKMPRHQP-UHFFFAOYSA-N
MW4268.55 g/mol
LogP66.73
Rot. Bonds56

About propan-2-yl N-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate

propan-2-yl N-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate (PubChem CID 161113234) has the molecular formula C250H266ClF8N19O30S2 and a molecular weight of 4268.55 g/mol. Its IUPAC name is propan-2-yl N-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate
PubChem CID161113234
Molecular FormulaC250H266ClF8N19O30S2
Molecular Weight4268.55 g/mol
Exact Mass4264.89
IUPAC Namepropan-2-yl N-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(-c3ccc(C(F)(F)F)cc3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(-c3ccc(F)cc3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(-c3cscn3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CCOc1ccc2c(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(-c3ccc(Cl)cc3)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(-c3ccc(F)cc3)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.Cc1nc(-c2c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)co1.Cc1nc(-c2c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)cs1
InChIInChI=1S/C34H35F3N2O4.C33H35FN2O4.C31H31F3N2O3.C31H35N3O5.C31H35N3O4S.C30H31ClN2O3.C30H31FN2O3.C30H33N3O4S/c1-21(2)42-33(40)38-25-12-8-23(9-13-25)32-31(22-6-10-24(11-7-22)34(35,36)37)29-15-14-28(43-27-16-18-41-19-17-27)20-30(29)39(32)26-4-3-5-26;1-21(2)39-33(37)35-25-12-8-23(9-13-25)32-31(22-6-10-24(34)11-7-22)29-15-14-28(40-27-16-18-38-19-17-27)20-30(29)36(32)26-4-3-5-26;1-4-38-25-16-17-26-27(18-25)36(24-6-5-7-24)29(28(26)20-8-12-22(13-9-20)31(32,33)34)21-10-14-23(15-11-21)35-30(37)39-19(2)3;1-19(2)38-31(35)33-22-9-7-21(8-10-22)30-29(27-18-37-20(3)32-27)26-12-11-25(39-24-13-15-36-16-14-24)17-28(26)34(30)23-5-4-6-23;1-19(2)37-31(35)33-22-9-7-21(8-10-22)30-29(27-18-39-20(3)32-27)26-12-11-25(38-24-13-15-36-16-14-24)17-28(26)34(30)23-5-4-6-23;2*1-4-35-25-16-17-26-27(18-25)33(24-6-5-7-24)29(28(26)20-8-12-22(31)13-9-20)21-10-14-23(15-11-21)32-30(34)36-19(2)3;1-19(2)36-30(34)32-21-8-6-20(7-9-21)29-28(26-17-38-18-31-26)25-11-10-24(37-23-12-14-35-15-13-23)16-27(25)33(29)22-4-3-5-22/h6-15,20-21,26-27H,3-5,16-19H2,1-2H3,(H,38,40);6-15,20-21,26-27H,3-5,16-19H2,1-2H3,(H,35,37);8-19,24H,4-7H2,1-3H3,(H,35,37);2*7-12,17-19,23-24H,4-6,13-16H2,1-3H3,(H,33,35);2*8-19,24H,4-7H2,1-3H3,(H,32,34);6-11,16-19,22-23H,3-5,12-15H2,1-2H3,(H,32,34)
InChIKeyUJYZELMKMPRHQP-UHFFFAOYSA-N
XLogP66.73
TPSA517.88 Ų
H-Bond Donors8
H-Bond Acceptors43
Rotatable Bonds56
Heavy Atoms310
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004268.55
LogP ≤ 566.73
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1043

Analyze propan-2-yl N-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate?
The IUPAC name of propan-2-yl N-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate (CID 161113234) is propan-2-yl N-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate?
The canonical SMILES for propan-2-yl N-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate is CC(C)OC(=O)Nc1ccc(-c2c(-c3ccc(C(F)(F)F)cc3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(-c3ccc(F)cc3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(-c3cscn3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CCOc1ccc2c(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(-c3ccc(Cl)cc3)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(-c3ccc(F)cc3)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.Cc1nc(-c2c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)co1.Cc1nc(-c2c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)cs1.
What is the InChIKey of propan-2-yl N-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate?
The InChIKey is UJYZELMKMPRHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35F3N2O4.C33H35FN2O4.C31H31F3N2O3.C31H35N3O5.C31H35N3O4S.C30H31ClN2O3.C30H31FN2O3.C30H33N3O4S/c1-21(2)42-33(40)38-25-12-8-23(9-13-25)32-31(22-6-10-24(11-7-22)34(35,36)37)29-15-14-28(43-27-16-18-41-19-17-27)20-30(29)39(32)26-4-3-5-26;1-21(2)39-33(37)35-25-12-8-23(9-13-25)32-31(22-6-10-24(34)11-7-22)29-15-14-28(40-27-16-18-38-19-17-27)20-30(29)36(32)26-4-3-5-26;1-4-38-25-16-17-26-27(18-25)36(24-6-5-7-24)29(28(26)20-8-12-22(13-9-20)31(32,33)34)21-10-14-23(15-11-21)35-30(37)39-19(2)3;1-19(2)38-31(35)33-22-9-7-21(8-10-22)30-29(27-18-37-20(3)32-27)26-12-11-25(39-24-13-15-36-16-14-24)17-28(26)34(30)23-5-4-6-23;1-19(2)37-31(35)33-22-9-7-21(8-10-22)30-29(27-18-39-20(3)32-27)26-12-11-25(38-24-13-15-36-16-14-24)17-28(26)34(30)23-5-4-6-23;2*1-4-35-25-16-17-26-27(18-25)33(24-6-5-7-24)29(28(26)20-8-12-22(31)13-9-20)21-10-14-23(15-11-21)32-30(34)36-19(2)3;1-19(2)36-30(34)32-21-8-6-20(7-9-21)29-28(26-17-38-18-31-26)25-11-10-24(37-23-12-14-35-15-13-23)16-27(25)33(29)22-4-3-5-22/h6-15,20-21,26-27H,3-5,16-19H2,1-2H3,(H,38,40);6-15,20-21,26-27H,3-5,16-19H2,1-2H3,(H,35,37);8-19,24H,4-7H2,1-3H3,(H,35,37);2*7-12,17-19,23-24H,4-6,13-16H2,1-3H3,(H,33,35);2*8-19,24H,4-7H2,1-3H3,(H,32,34);6-11,16-19,22-23H,3-5,12-15H2,1-2H3,(H,32,34).
What are the key properties of propan-2-yl N-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate?
propan-2-yl N-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate has a molecular weight of 4268.55 g/mol, XLogP of 66.73, 56 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 161113234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).