1-[[4-(2-carbamoylphenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;carbon dioxide;1-[[4-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-[[(2R)-3-(dimethylamino)-2-hydroxy-3-oxopropyl]carbamoyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(dimethylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[4-[2-(methylcarbamoyl)phenyl]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[4-[2-(methylsulfonylcarbamoyl)phenyl]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(hydroxycarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;N-[(1S)-1-(3-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[2-methyl-5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid

C331H344N28O28S — CID 159514132

IUPAC1-[[4-(2-carbamoylphenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;carbon dioxide;1-[[4-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-[[(2R)-3-(dimethylamino)-2-hydroxy-3-oxopropyl]carbamoyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(dimethylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[4-[2-(methylcarbamoyl)phenyl]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[4-[2-(methylsulfonylcarbamoyl)phenyl]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(hydroxycarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;N-[(1S)-1-(3-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[2-methyl-5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid
SMILESCNC(=O)c1ccccc1-c1ccc(Cn2c(C)c(C)c3cc(C(=O)N[C@@H](C)c4cccc(C(C)C)c4)ccc32)cc1.COc1cccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3)cc2)c1.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)N(C)C)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)NCCN(C)C)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)NC[C@@H](O)C(=O)N(C)C)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)NO)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)NS(C)(=O)=O)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(N)=O)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1cc2cc(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1.O=C=O
InChIInChI=1S/C41H46N4O4.C40H46N4O2.C38H41N3O2.C37H39N3O4S.C37H39N3O2.C36H37N3O3.C36H37N3O2.C33H32N2O2.C32H27N3O5.CO2/c1-25(2)31-11-10-12-32(21-31)27(4)43-39(47)33-19-20-37-36(22-33)26(3)28(5)45(37)24-29-15-17-30(18-16-29)34-13-8-9-14-35(34)40(48)42-23-38(46)41(49)44(6)7;1-26(2)32-11-10-12-33(23-32)28(4)42-39(45)34-19-20-38-37(24-34)27(3)29(5)44(38)25-30-15-17-31(18-16-30)35-13-8-9-14-36(35)40(46)41-21-22-43(6)7;1-24(2)30-11-10-12-31(21-30)26(4)39-37(42)32-19-20-36-35(22-32)25(3)27(5)41(36)23-28-15-17-29(18-16-28)33-13-8-9-14-34(33)38(43)40(6)7;1-23(2)29-10-9-11-30(20-29)25(4)38-36(41)31-18-19-35-34(21-31)24(3)26(5)40(35)22-27-14-16-28(17-15-27)32-12-7-8-13-33(32)37(42)39-45(6,43)44;1-23(2)29-10-9-11-30(20-29)25(4)39-36(41)31-18-19-35-34(21-31)24(3)26(5)40(35)22-27-14-16-28(17-15-27)32-12-7-8-13-33(32)37(42)38-6;1-22(2)28-9-8-10-29(19-28)24(4)37-35(40)30-17-18-34-33(20-30)23(3)25(5)39(34)21-26-13-15-27(16-14-26)31-11-6-7-12-32(31)36(41)38-42;1-22(2)28-9-8-10-29(19-28)24(4)38-36(41)30-17-18-34-33(20-30)23(3)25(5)39(34)21-26-13-15-27(16-14-26)31-11-6-7-12-32(31)35(37)40;1-22-24(3)35(21-25-13-15-27(16-14-25)26-9-6-5-7-10-26)32-18-17-29(20-31(22)32)33(36)34-23(2)28-11-8-12-30(19-28)37-4;1-20-17-26-18-25(31(36)33-21(2)23-11-14-27(15-12-23)35(39)40)13-16-30(26)34(20)19-22-7-9-24(10-8-22)28-5-3-4-6-29(28)32(37)38;2-1-3/h8-22,25,27,38,46H,23-24H2,1-7H3,(H,42,48)(H,43,47);8-20,23-24,26,28H,21-22,25H2,1-7H3,(H,41,46)(H,42,45);8-22,24,26H,23H2,1-7H3,(H,39,42);7-21,23,25H,22H2,1-6H3,(H,38,41)(H,39,42);7-21,23,25H,22H2,1-6H3,(H,38,42)(H,39,41);6-20,22,24,42H,21H2,1-5H3,(H,37,40)(H,38,41);6-20,22,24H,21H2,1-5H3,(H2,37,40)(H,38,41);5-20,23H,21H2,1-4H3,(H,34,36);3-18,21H,19H2,1-2H3,(H,33,36)(H,37,38);/t27-,38+;28-;26-;2*25-;2*24-;23-;21-;/m000000000./s1
InChIKeyMAYRNQJEUIXWSZ-CGDPAMIOSA-N
MW5194.63 g/mol
LogP67.21
Rot. Bonds78

About 1-[[4-(2-carbamoylphenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;carbon dioxide;1-[[4-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-[[(2R)-3-(dimethylamino)-2-hydroxy-3-oxopropyl]carbamoyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(dimethylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[4-[2-(methylcarbamoyl)phenyl]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[4-[2-(methylsulfonylcarbamoyl)phenyl]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(hydroxycarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;N-[(1S)-1-(3-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[2-methyl-5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid

1-[[4-(2-carbamoylphenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;carbon dioxide;1-[[4-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-[[(2R)-3-(dimethylamino)-2-hydroxy-3-oxopropyl]carbamoyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(dimethylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[4-[2-(methylcarbamoyl)phenyl]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[4-[2-(methylsulfonylcarbamoyl)phenyl]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(hydroxycarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;N-[(1S)-1-(3-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[2-methyl-5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid (PubChem CID 159514132) has the molecular formula C331H344N28O28S and a molecular weight of 5194.63 g/mol. Its IUPAC name is 1-[[4-(2-carbamoylphenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;carbon dioxide;1-[[4-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-[[(2R)-3-(dimethylamino)-2-hydroxy-3-oxopropyl]carbamoyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(dimethylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[4-[2-(methylcarbamoyl)phenyl]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[4-[2-(methylsulfonylcarbamoyl)phenyl]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(hydroxycarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;N-[(1S)-1-(3-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[2-methyl-5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid.

Molecular Properties

Compound Name1-[[4-(2-carbamoylphenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;carbon dioxide;1-[[4-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-[[(2R)-3-(dimethylamino)-2-hydroxy-3-oxopropyl]carbamoyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(dimethylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[4-[2-(methylcarbamoyl)phenyl]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[4-[2-(methylsulfonylcarbamoyl)phenyl]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(hydroxycarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;N-[(1S)-1-(3-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[2-methyl-5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid
PubChem CID159514132
Molecular FormulaC331H344N28O28S
Molecular Weight5194.63 g/mol
Exact Mass5190.61
IUPAC Name1-[[4-(2-carbamoylphenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;carbon dioxide;1-[[4-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-[[(2R)-3-(dimethylamino)-2-hydroxy-3-oxopropyl]carbamoyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(dimethylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[4-[2-(methylcarbamoyl)phenyl]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[4-[2-(methylsulfonylcarbamoyl)phenyl]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(hydroxycarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;N-[(1S)-1-(3-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[2-methyl-5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid
SMILESCNC(=O)c1ccccc1-c1ccc(Cn2c(C)c(C)c3cc(C(=O)N[C@@H](C)c4cccc(C(C)C)c4)ccc32)cc1.COc1cccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3)cc2)c1.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)N(C)C)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)NCCN(C)C)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)NC[C@@H](O)C(=O)N(C)C)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)NO)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)NS(C)(=O)=O)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(N)=O)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1cc2cc(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1.O=C=O
InChIInChI=1S/C41H46N4O4.C40H46N4O2.C38H41N3O2.C37H39N3O4S.C37H39N3O2.C36H37N3O3.C36H37N3O2.C33H32N2O2.C32H27N3O5.CO2/c1-25(2)31-11-10-12-32(21-31)27(4)43-39(47)33-19-20-37-36(22-33)26(3)28(5)45(37)24-29-15-17-30(18-16-29)34-13-8-9-14-35(34)40(48)42-23-38(46)41(49)44(6)7;1-26(2)32-11-10-12-33(23-32)28(4)42-39(45)34-19-20-38-37(24-34)27(3)29(5)44(38)25-30-15-17-31(18-16-30)35-13-8-9-14-36(35)40(46)41-21-22-43(6)7;1-24(2)30-11-10-12-31(21-30)26(4)39-37(42)32-19-20-36-35(22-32)25(3)27(5)41(36)23-28-15-17-29(18-16-28)33-13-8-9-14-34(33)38(43)40(6)7;1-23(2)29-10-9-11-30(20-29)25(4)38-36(41)31-18-19-35-34(21-31)24(3)26(5)40(35)22-27-14-16-28(17-15-27)32-12-7-8-13-33(32)37(42)39-45(6,43)44;1-23(2)29-10-9-11-30(20-29)25(4)39-36(41)31-18-19-35-34(21-31)24(3)26(5)40(35)22-27-14-16-28(17-15-27)32-12-7-8-13-33(32)37(42)38-6;1-22(2)28-9-8-10-29(19-28)24(4)37-35(40)30-17-18-34-33(20-30)23(3)25(5)39(34)21-26-13-15-27(16-14-26)31-11-6-7-12-32(31)36(41)38-42;1-22(2)28-9-8-10-29(19-28)24(4)38-36(41)30-17-18-34-33(20-30)23(3)25(5)39(34)21-26-13-15-27(16-14-26)31-11-6-7-12-32(31)35(37)40;1-22-24(3)35(21-25-13-15-27(16-14-25)26-9-6-5-7-10-26)32-18-17-29(20-31(22)32)33(36)34-23(2)28-11-8-12-30(19-28)37-4;1-20-17-26-18-25(31(36)33-21(2)23-11-14-27(15-12-23)35(39)40)13-16-30(26)34(20)19-22-7-9-24(10-8-22)28-5-3-4-6-29(28)32(37)38;2-1-3/h8-22,25,27,38,46H,23-24H2,1-7H3,(H,42,48)(H,43,47);8-20,23-24,26,28H,21-22,25H2,1-7H3,(H,41,46)(H,42,45);8-22,24,26H,23H2,1-7H3,(H,39,42);7-21,23,25H,22H2,1-6H3,(H,38,41)(H,39,42);7-21,23,25H,22H2,1-6H3,(H,38,42)(H,39,41);6-20,22,24,42H,21H2,1-5H3,(H,37,40)(H,38,41);6-20,22,24H,21H2,1-5H3,(H2,37,40)(H,38,41);5-20,23H,21H2,1-4H3,(H,34,36);3-18,21H,19H2,1-2H3,(H,33,36)(H,37,38);/t27-,38+;28-;26-;2*25-;2*24-;23-;21-;/m000000000./s1
InChIKeyMAYRNQJEUIXWSZ-CGDPAMIOSA-N
XLogP67.21
TPSA737.13 Ų
H-Bond Donors18
H-Bond Acceptors37
Rotatable Bonds78
Heavy Atoms388
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005194.63
LogP ≤ 567.21
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1037

Analyze 1-[[4-(2-carbamoylphenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;carbon dioxide;1-[[4-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-[[(2R)-3-(dimethylamino)-2-hydroxy-3-oxopropyl]carbamoyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(dimethylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[4-[2-(methylcarbamoyl)phenyl]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[4-[2-(methylsulfonylcarbamoyl)phenyl]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(hydroxycarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;N-[(1S)-1-(3-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[2-methyl-5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid with MolForge

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What is the IUPAC name of 1-[[4-(2-carbamoylphenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;carbon dioxide;1-[[4-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-[[(2R)-3-(dimethylamino)-2-hydroxy-3-oxopropyl]carbamoyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(dimethylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[4-[2-(methylcarbamoyl)phenyl]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[4-[2-(methylsulfonylcarbamoyl)phenyl]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(hydroxycarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;N-[(1S)-1-(3-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[2-methyl-5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid?
The IUPAC name of 1-[[4-(2-carbamoylphenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;carbon dioxide;1-[[4-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-[[(2R)-3-(dimethylamino)-2-hydroxy-3-oxopropyl]carbamoyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(dimethylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[4-[2-(methylcarbamoyl)phenyl]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[4-[2-(methylsulfonylcarbamoyl)phenyl]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(hydroxycarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;N-[(1S)-1-(3-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[2-methyl-5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid (CID 159514132) is 1-[[4-(2-carbamoylphenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;carbon dioxide;1-[[4-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-[[(2R)-3-(dimethylamino)-2-hydroxy-3-oxopropyl]carbamoyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(dimethylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[4-[2-(methylcarbamoyl)phenyl]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[4-[2-(methylsulfonylcarbamoyl)phenyl]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(hydroxycarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;N-[(1S)-1-(3-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[2-methyl-5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid.
What is the SMILES notation for 1-[[4-(2-carbamoylphenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;carbon dioxide;1-[[4-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-[[(2R)-3-(dimethylamino)-2-hydroxy-3-oxopropyl]carbamoyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(dimethylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[4-[2-(methylcarbamoyl)phenyl]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[4-[2-(methylsulfonylcarbamoyl)phenyl]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(hydroxycarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;N-[(1S)-1-(3-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[2-methyl-5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid?
The canonical SMILES for 1-[[4-(2-carbamoylphenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;carbon dioxide;1-[[4-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-[[(2R)-3-(dimethylamino)-2-hydroxy-3-oxopropyl]carbamoyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(dimethylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[4-[2-(methylcarbamoyl)phenyl]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[4-[2-(methylsulfonylcarbamoyl)phenyl]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(hydroxycarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;N-[(1S)-1-(3-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[2-methyl-5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid is CNC(=O)c1ccccc1-c1ccc(Cn2c(C)c(C)c3cc(C(=O)N[C@@H](C)c4cccc(C(C)C)c4)ccc32)cc1.COc1cccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3)cc2)c1.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)N(C)C)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)NCCN(C)C)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)NC[C@@H](O)C(=O)N(C)C)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)NO)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)NS(C)(=O)=O)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(N)=O)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1cc2cc(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1.O=C=O.
What is the InChIKey of 1-[[4-(2-carbamoylphenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;carbon dioxide;1-[[4-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-[[(2R)-3-(dimethylamino)-2-hydroxy-3-oxopropyl]carbamoyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(dimethylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[4-[2-(methylcarbamoyl)phenyl]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[4-[2-(methylsulfonylcarbamoyl)phenyl]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(hydroxycarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;N-[(1S)-1-(3-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[2-methyl-5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid?
The InChIKey is MAYRNQJEUIXWSZ-CGDPAMIOSA-N. The full InChI is InChI=1S/C41H46N4O4.C40H46N4O2.C38H41N3O2.C37H39N3O4S.C37H39N3O2.C36H37N3O3.C36H37N3O2.C33H32N2O2.C32H27N3O5.CO2/c1-25(2)31-11-10-12-32(21-31)27(4)43-39(47)33-19-20-37-36(22-33)26(3)28(5)45(37)24-29-15-17-30(18-16-29)34-13-8-9-14-35(34)40(48)42-23-38(46)41(49)44(6)7;1-26(2)32-11-10-12-33(23-32)28(4)42-39(45)34-19-20-38-37(24-34)27(3)29(5)44(38)25-30-15-17-31(18-16-30)35-13-8-9-14-36(35)40(46)41-21-22-43(6)7;1-24(2)30-11-10-12-31(21-30)26(4)39-37(42)32-19-20-36-35(22-32)25(3)27(5)41(36)23-28-15-17-29(18-16-28)33-13-8-9-14-34(33)38(43)40(6)7;1-23(2)29-10-9-11-30(20-29)25(4)38-36(41)31-18-19-35-34(21-31)24(3)26(5)40(35)22-27-14-16-28(17-15-27)32-12-7-8-13-33(32)37(42)39-45(6,43)44;1-23(2)29-10-9-11-30(20-29)25(4)39-36(41)31-18-19-35-34(21-31)24(3)26(5)40(35)22-27-14-16-28(17-15-27)32-12-7-8-13-33(32)37(42)38-6;1-22(2)28-9-8-10-29(19-28)24(4)37-35(40)30-17-18-34-33(20-30)23(3)25(5)39(34)21-26-13-15-27(16-14-26)31-11-6-7-12-32(31)36(41)38-42;1-22(2)28-9-8-10-29(19-28)24(4)38-36(41)30-17-18-34-33(20-30)23(3)25(5)39(34)21-26-13-15-27(16-14-26)31-11-6-7-12-32(31)35(37)40;1-22-24(3)35(21-25-13-15-27(16-14-25)26-9-6-5-7-10-26)32-18-17-29(20-31(22)32)33(36)34-23(2)28-11-8-12-30(19-28)37-4;1-20-17-26-18-25(31(36)33-21(2)23-11-14-27(15-12-23)35(39)40)13-16-30(26)34(20)19-22-7-9-24(10-8-22)28-5-3-4-6-29(28)32(37)38;2-1-3/h8-22,25,27,38,46H,23-24H2,1-7H3,(H,42,48)(H,43,47);8-20,23-24,26,28H,21-22,25H2,1-7H3,(H,41,46)(H,42,45);8-22,24,26H,23H2,1-7H3,(H,39,42);7-21,23,25H,22H2,1-6H3,(H,38,41)(H,39,42);7-21,23,25H,22H2,1-6H3,(H,38,42)(H,39,41);6-20,22,24,42H,21H2,1-5H3,(H,37,40)(H,38,41);6-20,22,24H,21H2,1-5H3,(H2,37,40)(H,38,41);5-20,23H,21H2,1-4H3,(H,34,36);3-18,21H,19H2,1-2H3,(H,33,36)(H,37,38);/t27-,38+;28-;26-;2*25-;2*24-;23-;21-;/m000000000./s1.
What are the key properties of 1-[[4-(2-carbamoylphenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;carbon dioxide;1-[[4-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-[[(2R)-3-(dimethylamino)-2-hydroxy-3-oxopropyl]carbamoyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(dimethylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[4-[2-(methylcarbamoyl)phenyl]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[4-[2-(methylsulfonylcarbamoyl)phenyl]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(hydroxycarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;N-[(1S)-1-(3-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[2-methyl-5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid?
1-[[4-(2-carbamoylphenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;carbon dioxide;1-[[4-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-[[(2R)-3-(dimethylamino)-2-hydroxy-3-oxopropyl]carbamoyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(dimethylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[4-[2-(methylcarbamoyl)phenyl]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[4-[2-(methylsulfonylcarbamoyl)phenyl]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(hydroxycarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;N-[(1S)-1-(3-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[2-methyl-5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid has a molecular weight of 5194.63 g/mol, XLogP of 67.21, 78 rotatable bonds, 18 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-carbamoylphenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;carbon dioxide;1-[[4-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-[[(2R)-3-(dimethylamino)-2-hydroxy-3-oxopropyl]carbamoyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(dimethylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[4-[2-(methylcarbamoyl)phenyl]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[[4-[2-(methylsulfonylcarbamoyl)phenyl]phenyl]methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(hydroxycarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;N-[(1S)-1-(3-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2-[4-[[2-methyl-5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid is sourced from PubChem (CID 159514132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).