tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[2-amino-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-1-yl]butyl]carbamate;tert-butyl N-[5-[3-[(4-methoxyphenyl)methyl-methylamino]-2-nitrophenyl]pentyl]carbamate;1,3-difluoro-2-nitrobenzene;2-[5-(5-ethoxycarbonyl-1-ethyl-3-methylpyrazol-4-yl)pentyl]-5-methylpyrazole-3-carboxylic acid;ethyl 4-[5-[5-[[1-[4-(2-amino-5-carbamoyl-2,3-dihydroindol-1-yl)butyl]-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-1-ethyl-3-methylpyrazole-5-carboxylate;ethyl 4-[5-[5-[[1-[4-(4-carbamoyl-2-nitroanilino)butyl]-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-1-ethyl-3-methylpyrazole-5-carboxylate;ethyl 1-ethyl-4-[5-[5-[[4-[(4-methoxyphenyl)methyl-methylamino]-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-3-methylpyrazole-5-carboxylate;5-ethyl-24-[(4-methoxyphenyl)methyl-methylamino]-7,16-dimethyl-3,19-dioxo-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-38-carboxamide;3-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-2-nitroaniline;4-fluoro-3-nitrobenzamide;1-(4-methoxyphenyl)-N-methylmethanamine

C298H385F4N63O45 — CID 159648738

IUPACtert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[2-amino-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-1-yl]butyl]carbamate;tert-butyl N-[5-[3-[(4-methoxyphenyl)methyl-methylamino]-2-nitrophenyl]pentyl]carbamate;1,3-difluoro-2-nitrobenzene;2-[5-(5-ethoxycarbonyl-1-ethyl-3-methylpyrazol-4-yl)pentyl]-5-methylpyrazole-3-carboxylic acid;ethyl 4-[5-[5-[[1-[4-(2-amino-5-carbamoyl-2,3-dihydroindol-1-yl)butyl]-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-1-ethyl-3-methylpyrazole-5-carboxylate;ethyl 4-[5-[5-[[1-[4-(4-carbamoyl-2-nitroanilino)butyl]-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-1-ethyl-3-methylpyrazole-5-carboxylate;ethyl 1-ethyl-4-[5-[5-[[4-[(4-methoxyphenyl)methyl-methylamino]-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-3-methylpyrazole-5-carboxylate;5-ethyl-24-[(4-methoxyphenyl)methyl-methylamino]-7,16-dimethyl-3,19-dioxo-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-38-carboxamide;3-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-2-nitroaniline;4-fluoro-3-nitrobenzamide;1-(4-methoxyphenyl)-N-methylmethanamine
SMILESCC(C)(C)OC(=O)NCCCCN.CCOC(=O)c1c(CCCCCn2nc(C)cc2C(=O)Nc2nc3c(N(C)Cc4ccc(OC)cc4)cccc3n2CCCCN2c3ccc(C(N)=O)cc3CC2N)c(C)nn1CC.CCOC(=O)c1c(CCCCCn2nc(C)cc2C(=O)Nc2nc3c(N(C)Cc4ccc(OC)cc4)cccc3n2CCCCNC(=O)OC(C)(C)C)c(C)nn1CC.CCOC(=O)c1c(CCCCCn2nc(C)cc2C(=O)Nc2nc3c(N(C)Cc4ccc(OC)cc4)cccc3n2CCCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])c(C)nn1CC.CCOC(=O)c1c(CCCCCn2nc(C)cc2C(=O)O)c(C)nn1CC.CCn1nc(C)c2c1C(=O)Nc1nc3cc(C(N)=O)ccc3n1CCCCn1c(nc3c(N(C)Cc4ccc(OC)cc4)cccc31)NC(=O)c1cc(C)nn1CCCCC2.CNCc1ccc(OC)cc1.COc1ccc(CN(C)c2cccc(CCCCCNC(=O)OC(C)(C)C)c2[N+](=O)[O-])cc1.COc1ccc(CN(C)c2cccc(F)c2[N+](=O)[O-])cc1.COc1ccc(CN(C)c2cccc3c2nc(N)n3CCCCNC(=O)OC(C)(C)C)cc1.NC(=O)c1ccc(F)c([N+](=O)[O-])c1.O=[N+]([O-])c1c(F)cccc1F
InChIInChI=1S/C48H61N11O5.C46H57N11O7.C45H52N12O4.C44H61N9O6.C25H35N5O3.C25H35N3O5.C19H28N4O4.C15H15FN2O3.C9H20N2O2.C9H13NO.C7H5FN2O3.C6H3F2NO2/c1-7-58-44(47(62)64-8-2)37(32(4)54-58)15-10-9-11-26-59-41(27-31(3)53-59)46(61)52-48-51-43-39(55(5)30-33-18-21-36(63-6)22-19-33)16-14-17-40(43)57(48)25-13-12-24-56-38-23-20-34(45(50)60)28-35(38)29-42(56)49;1-7-55-42(45(60)64-8-2)35(31(4)52-55)15-10-9-12-26-56-40(27-30(3)51-56)44(59)50-46-49-41-37(53(5)29-32-18-21-34(63-6)22-19-32)16-14-17-38(41)54(46)25-13-11-24-48-36-23-20-33(43(47)58)28-39(36)57(61)62;1-6-56-40-33(29(3)52-56)13-8-7-9-24-57-38(25-28(2)51-57)42(59)49-45-48-39-36(53(4)27-30-16-19-32(61-5)20-17-30)14-12-15-37(39)55(45)23-11-10-22-54-35-21-18-31(41(46)58)26-34(35)47-44(54)50-43(40)60;1-10-52-39(41(55)58-11-2)34(31(4)49-52)18-13-12-15-27-53-37(28-30(3)48-53)40(54)47-42-46-38-35(50(8)29-32-21-23-33(57-9)24-22-32)19-17-20-36(38)51(42)26-16-14-25-45-43(56)59-44(5,6)7;1-25(2,3)33-24(31)27-15-6-7-16-30-21-10-8-9-20(22(21)28-23(30)26)29(4)17-18-11-13-19(32-5)14-12-18;1-25(2,3)33-24(29)26-17-8-6-7-10-20-11-9-12-22(23(20)28(30)31)27(4)18-19-13-15-21(32-5)16-14-19;1-5-22-17(19(26)27-6-2)15(14(4)21-22)10-8-7-9-11-23-16(18(24)25)12-13(3)20-23;1-17(10-11-6-8-12(21-2)9-7-11)14-5-3-4-13(16)15(14)18(19)20;1-9(2,3)13-8(12)11-7-5-4-6-10;1-10-7-8-3-5-9(11-2)6-4-8;8-5-2-1-4(7(9)11)3-6(5)10(12)13;7-4-2-1-3-5(8)6(4)9(10)11/h14,16-23,27-28,42H,7-13,15,24-26,29-30,49H2,1-6H3,(H2,50,60)(H,51,52,61);14,16-23,27-28,48H,7-13,15,24-26,29H2,1-6H3,(H2,47,58)(H,49,50,59);12,14-21,25-26H,6-11,13,22-24,27H2,1-5H3,(H2,46,58)(H,47,50,60)(H,48,49,59);17,19-24,28H,10-16,18,25-27,29H2,1-9H3,(H,45,56)(H,46,47,54);8-14H,6-7,15-17H2,1-5H3,(H2,26,28)(H,27,31);9,11-16H,6-8,10,17-18H2,1-5H3,(H,26,29);12H,5-11H2,1-4H3,(H,24,25);3-9H,10H2,1-2H3;4-7,10H2,1-3H3,(H,11,12);3-6,10H,7H2,1-2H3;1-3H,(H2,9,11);1-3H
InChIKeyMRHGUFWIZOTPER-UHFFFAOYSA-N
MW5645.75 g/mol
LogP50.76
Rot. Bonds115

About tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[2-amino-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-1-yl]butyl]carbamate;tert-butyl N-[5-[3-[(4-methoxyphenyl)methyl-methylamino]-2-nitrophenyl]pentyl]carbamate;1,3-difluoro-2-nitrobenzene;2-[5-(5-ethoxycarbonyl-1-ethyl-3-methylpyrazol-4-yl)pentyl]-5-methylpyrazole-3-carboxylic acid;ethyl 4-[5-[5-[[1-[4-(2-amino-5-carbamoyl-2,3-dihydroindol-1-yl)butyl]-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-1-ethyl-3-methylpyrazole-5-carboxylate;ethyl 4-[5-[5-[[1-[4-(4-carbamoyl-2-nitroanilino)butyl]-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-1-ethyl-3-methylpyrazole-5-carboxylate;ethyl 1-ethyl-4-[5-[5-[[4-[(4-methoxyphenyl)methyl-methylamino]-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-3-methylpyrazole-5-carboxylate;5-ethyl-24-[(4-methoxyphenyl)methyl-methylamino]-7,16-dimethyl-3,19-dioxo-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-38-carboxamide;3-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-2-nitroaniline;4-fluoro-3-nitrobenzamide;1-(4-methoxyphenyl)-N-methylmethanamine

tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[2-amino-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-1-yl]butyl]carbamate;tert-butyl N-[5-[3-[(4-methoxyphenyl)methyl-methylamino]-2-nitrophenyl]pentyl]carbamate;1,3-difluoro-2-nitrobenzene;2-[5-(5-ethoxycarbonyl-1-ethyl-3-methylpyrazol-4-yl)pentyl]-5-methylpyrazole-3-carboxylic acid;ethyl 4-[5-[5-[[1-[4-(2-amino-5-carbamoyl-2,3-dihydroindol-1-yl)butyl]-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-1-ethyl-3-methylpyrazole-5-carboxylate;ethyl 4-[5-[5-[[1-[4-(4-carbamoyl-2-nitroanilino)butyl]-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-1-ethyl-3-methylpyrazole-5-carboxylate;ethyl 1-ethyl-4-[5-[5-[[4-[(4-methoxyphenyl)methyl-methylamino]-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-3-methylpyrazole-5-carboxylate;5-ethyl-24-[(4-methoxyphenyl)methyl-methylamino]-7,16-dimethyl-3,19-dioxo-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-38-carboxamide;3-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-2-nitroaniline;4-fluoro-3-nitrobenzamide;1-(4-methoxyphenyl)-N-methylmethanamine (PubChem CID 159648738) has the molecular formula C298H385F4N63O45 and a molecular weight of 5645.75 g/mol. Its IUPAC name is tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[2-amino-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-1-yl]butyl]carbamate;tert-butyl N-[5-[3-[(4-methoxyphenyl)methyl-methylamino]-2-nitrophenyl]pentyl]carbamate;1,3-difluoro-2-nitrobenzene;2-[5-(5-ethoxycarbonyl-1-ethyl-3-methylpyrazol-4-yl)pentyl]-5-methylpyrazole-3-carboxylic acid;ethyl 4-[5-[5-[[1-[4-(2-amino-5-carbamoyl-2,3-dihydroindol-1-yl)butyl]-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-1-ethyl-3-methylpyrazole-5-carboxylate;ethyl 4-[5-[5-[[1-[4-(4-carbamoyl-2-nitroanilino)butyl]-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-1-ethyl-3-methylpyrazole-5-carboxylate;ethyl 1-ethyl-4-[5-[5-[[4-[(4-methoxyphenyl)methyl-methylamino]-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-3-methylpyrazole-5-carboxylate;5-ethyl-24-[(4-methoxyphenyl)methyl-methylamino]-7,16-dimethyl-3,19-dioxo-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-38-carboxamide;3-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-2-nitroaniline;4-fluoro-3-nitrobenzamide;1-(4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Nametert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[2-amino-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-1-yl]butyl]carbamate;tert-butyl N-[5-[3-[(4-methoxyphenyl)methyl-methylamino]-2-nitrophenyl]pentyl]carbamate;1,3-difluoro-2-nitrobenzene;2-[5-(5-ethoxycarbonyl-1-ethyl-3-methylpyrazol-4-yl)pentyl]-5-methylpyrazole-3-carboxylic acid;ethyl 4-[5-[5-[[1-[4-(2-amino-5-carbamoyl-2,3-dihydroindol-1-yl)butyl]-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-1-ethyl-3-methylpyrazole-5-carboxylate;ethyl 4-[5-[5-[[1-[4-(4-carbamoyl-2-nitroanilino)butyl]-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-1-ethyl-3-methylpyrazole-5-carboxylate;ethyl 1-ethyl-4-[5-[5-[[4-[(4-methoxyphenyl)methyl-methylamino]-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-3-methylpyrazole-5-carboxylate;5-ethyl-24-[(4-methoxyphenyl)methyl-methylamino]-7,16-dimethyl-3,19-dioxo-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-38-carboxamide;3-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-2-nitroaniline;4-fluoro-3-nitrobenzamide;1-(4-methoxyphenyl)-N-methylmethanamine
PubChem CID159648738
Molecular FormulaC298H385F4N63O45
Molecular Weight5645.75 g/mol
Exact Mass5641.97
IUPAC Nametert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[2-amino-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-1-yl]butyl]carbamate;tert-butyl N-[5-[3-[(4-methoxyphenyl)methyl-methylamino]-2-nitrophenyl]pentyl]carbamate;1,3-difluoro-2-nitrobenzene;2-[5-(5-ethoxycarbonyl-1-ethyl-3-methylpyrazol-4-yl)pentyl]-5-methylpyrazole-3-carboxylic acid;ethyl 4-[5-[5-[[1-[4-(2-amino-5-carbamoyl-2,3-dihydroindol-1-yl)butyl]-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-1-ethyl-3-methylpyrazole-5-carboxylate;ethyl 4-[5-[5-[[1-[4-(4-carbamoyl-2-nitroanilino)butyl]-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-1-ethyl-3-methylpyrazole-5-carboxylate;ethyl 1-ethyl-4-[5-[5-[[4-[(4-methoxyphenyl)methyl-methylamino]-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-3-methylpyrazole-5-carboxylate;5-ethyl-24-[(4-methoxyphenyl)methyl-methylamino]-7,16-dimethyl-3,19-dioxo-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-38-carboxamide;3-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-2-nitroaniline;4-fluoro-3-nitrobenzamide;1-(4-methoxyphenyl)-N-methylmethanamine
SMILESCC(C)(C)OC(=O)NCCCCN.CCOC(=O)c1c(CCCCCn2nc(C)cc2C(=O)Nc2nc3c(N(C)Cc4ccc(OC)cc4)cccc3n2CCCCN2c3ccc(C(N)=O)cc3CC2N)c(C)nn1CC.CCOC(=O)c1c(CCCCCn2nc(C)cc2C(=O)Nc2nc3c(N(C)Cc4ccc(OC)cc4)cccc3n2CCCCNC(=O)OC(C)(C)C)c(C)nn1CC.CCOC(=O)c1c(CCCCCn2nc(C)cc2C(=O)Nc2nc3c(N(C)Cc4ccc(OC)cc4)cccc3n2CCCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])c(C)nn1CC.CCOC(=O)c1c(CCCCCn2nc(C)cc2C(=O)O)c(C)nn1CC.CCn1nc(C)c2c1C(=O)Nc1nc3cc(C(N)=O)ccc3n1CCCCn1c(nc3c(N(C)Cc4ccc(OC)cc4)cccc31)NC(=O)c1cc(C)nn1CCCCC2.CNCc1ccc(OC)cc1.COc1ccc(CN(C)c2cccc(CCCCCNC(=O)OC(C)(C)C)c2[N+](=O)[O-])cc1.COc1ccc(CN(C)c2cccc(F)c2[N+](=O)[O-])cc1.COc1ccc(CN(C)c2cccc3c2nc(N)n3CCCCNC(=O)OC(C)(C)C)cc1.NC(=O)c1ccc(F)c([N+](=O)[O-])c1.O=[N+]([O-])c1c(F)cccc1F
InChIInChI=1S/C48H61N11O5.C46H57N11O7.C45H52N12O4.C44H61N9O6.C25H35N5O3.C25H35N3O5.C19H28N4O4.C15H15FN2O3.C9H20N2O2.C9H13NO.C7H5FN2O3.C6H3F2NO2/c1-7-58-44(47(62)64-8-2)37(32(4)54-58)15-10-9-11-26-59-41(27-31(3)53-59)46(61)52-48-51-43-39(55(5)30-33-18-21-36(63-6)22-19-33)16-14-17-40(43)57(48)25-13-12-24-56-38-23-20-34(45(50)60)28-35(38)29-42(56)49;1-7-55-42(45(60)64-8-2)35(31(4)52-55)15-10-9-12-26-56-40(27-30(3)51-56)44(59)50-46-49-41-37(53(5)29-32-18-21-34(63-6)22-19-32)16-14-17-38(41)54(46)25-13-11-24-48-36-23-20-33(43(47)58)28-39(36)57(61)62;1-6-56-40-33(29(3)52-56)13-8-7-9-24-57-38(25-28(2)51-57)42(59)49-45-48-39-36(53(4)27-30-16-19-32(61-5)20-17-30)14-12-15-37(39)55(45)23-11-10-22-54-35-21-18-31(41(46)58)26-34(35)47-44(54)50-43(40)60;1-10-52-39(41(55)58-11-2)34(31(4)49-52)18-13-12-15-27-53-37(28-30(3)48-53)40(54)47-42-46-38-35(50(8)29-32-21-23-33(57-9)24-22-32)19-17-20-36(38)51(42)26-16-14-25-45-43(56)59-44(5,6)7;1-25(2,3)33-24(31)27-15-6-7-16-30-21-10-8-9-20(22(21)28-23(30)26)29(4)17-18-11-13-19(32-5)14-12-18;1-25(2,3)33-24(29)26-17-8-6-7-10-20-11-9-12-22(23(20)28(30)31)27(4)18-19-13-15-21(32-5)16-14-19;1-5-22-17(19(26)27-6-2)15(14(4)21-22)10-8-7-9-11-23-16(18(24)25)12-13(3)20-23;1-17(10-11-6-8-12(21-2)9-7-11)14-5-3-4-13(16)15(14)18(19)20;1-9(2,3)13-8(12)11-7-5-4-6-10;1-10-7-8-3-5-9(11-2)6-4-8;8-5-2-1-4(7(9)11)3-6(5)10(12)13;7-4-2-1-3-5(8)6(4)9(10)11/h14,16-23,27-28,42H,7-13,15,24-26,29-30,49H2,1-6H3,(H2,50,60)(H,51,52,61);14,16-23,27-28,48H,7-13,15,24-26,29H2,1-6H3,(H2,47,58)(H,49,50,59);12,14-21,25-26H,6-11,13,22-24,27H2,1-5H3,(H2,46,58)(H,47,50,60)(H,48,49,59);17,19-24,28H,10-16,18,25-27,29H2,1-9H3,(H,45,56)(H,46,47,54);8-14H,6-7,15-17H2,1-5H3,(H2,26,28)(H,27,31);9,11-16H,6-8,10,17-18H2,1-5H3,(H,26,29);12H,5-11H2,1-4H3,(H,24,25);3-9H,10H2,1-2H3;4-7,10H2,1-3H3,(H,11,12);3-6,10H,7H2,1-2H3;1-3H,(H2,9,11);1-3H
InChIKeyMRHGUFWIZOTPER-UHFFFAOYSA-N
XLogP50.76
TPSA1316.38 Ų
H-Bond Donors19
H-Bond Acceptors89
Rotatable Bonds115
Heavy Atoms410
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005645.75
LogP ≤ 550.76
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1089

Analyze tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[2-amino-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-1-yl]butyl]carbamate;tert-butyl N-[5-[3-[(4-methoxyphenyl)methyl-methylamino]-2-nitrophenyl]pentyl]carbamate;1,3-difluoro-2-nitrobenzene;2-[5-(5-ethoxycarbonyl-1-ethyl-3-methylpyrazol-4-yl)pentyl]-5-methylpyrazole-3-carboxylic acid;ethyl 4-[5-[5-[[1-[4-(2-amino-5-carbamoyl-2,3-dihydroindol-1-yl)butyl]-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-1-ethyl-3-methylpyrazole-5-carboxylate;ethyl 4-[5-[5-[[1-[4-(4-carbamoyl-2-nitroanilino)butyl]-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-1-ethyl-3-methylpyrazole-5-carboxylate;ethyl 1-ethyl-4-[5-[5-[[4-[(4-methoxyphenyl)methyl-methylamino]-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-3-methylpyrazole-5-carboxylate;5-ethyl-24-[(4-methoxyphenyl)methyl-methylamino]-7,16-dimethyl-3,19-dioxo-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-38-carboxamide;3-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-2-nitroaniline;4-fluoro-3-nitrobenzamide;1-(4-methoxyphenyl)-N-methylmethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[2-amino-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-1-yl]butyl]carbamate;tert-butyl N-[5-[3-[(4-methoxyphenyl)methyl-methylamino]-2-nitrophenyl]pentyl]carbamate;1,3-difluoro-2-nitrobenzene;2-[5-(5-ethoxycarbonyl-1-ethyl-3-methylpyrazol-4-yl)pentyl]-5-methylpyrazole-3-carboxylic acid;ethyl 4-[5-[5-[[1-[4-(2-amino-5-carbamoyl-2,3-dihydroindol-1-yl)butyl]-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-1-ethyl-3-methylpyrazole-5-carboxylate;ethyl 4-[5-[5-[[1-[4-(4-carbamoyl-2-nitroanilino)butyl]-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-1-ethyl-3-methylpyrazole-5-carboxylate;ethyl 1-ethyl-4-[5-[5-[[4-[(4-methoxyphenyl)methyl-methylamino]-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-3-methylpyrazole-5-carboxylate;5-ethyl-24-[(4-methoxyphenyl)methyl-methylamino]-7,16-dimethyl-3,19-dioxo-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-38-carboxamide;3-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-2-nitroaniline;4-fluoro-3-nitrobenzamide;1-(4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[2-amino-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-1-yl]butyl]carbamate;tert-butyl N-[5-[3-[(4-methoxyphenyl)methyl-methylamino]-2-nitrophenyl]pentyl]carbamate;1,3-difluoro-2-nitrobenzene;2-[5-(5-ethoxycarbonyl-1-ethyl-3-methylpyrazol-4-yl)pentyl]-5-methylpyrazole-3-carboxylic acid;ethyl 4-[5-[5-[[1-[4-(2-amino-5-carbamoyl-2,3-dihydroindol-1-yl)butyl]-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-1-ethyl-3-methylpyrazole-5-carboxylate;ethyl 4-[5-[5-[[1-[4-(4-carbamoyl-2-nitroanilino)butyl]-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-1-ethyl-3-methylpyrazole-5-carboxylate;ethyl 1-ethyl-4-[5-[5-[[4-[(4-methoxyphenyl)methyl-methylamino]-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-3-methylpyrazole-5-carboxylate;5-ethyl-24-[(4-methoxyphenyl)methyl-methylamino]-7,16-dimethyl-3,19-dioxo-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-38-carboxamide;3-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-2-nitroaniline;4-fluoro-3-nitrobenzamide;1-(4-methoxyphenyl)-N-methylmethanamine (CID 159648738) is tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[2-amino-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-1-yl]butyl]carbamate;tert-butyl N-[5-[3-[(4-methoxyphenyl)methyl-methylamino]-2-nitrophenyl]pentyl]carbamate;1,3-difluoro-2-nitrobenzene;2-[5-(5-ethoxycarbonyl-1-ethyl-3-methylpyrazol-4-yl)pentyl]-5-methylpyrazole-3-carboxylic acid;ethyl 4-[5-[5-[[1-[4-(2-amino-5-carbamoyl-2,3-dihydroindol-1-yl)butyl]-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-1-ethyl-3-methylpyrazole-5-carboxylate;ethyl 4-[5-[5-[[1-[4-(4-carbamoyl-2-nitroanilino)butyl]-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-1-ethyl-3-methylpyrazole-5-carboxylate;ethyl 1-ethyl-4-[5-[5-[[4-[(4-methoxyphenyl)methyl-methylamino]-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-3-methylpyrazole-5-carboxylate;5-ethyl-24-[(4-methoxyphenyl)methyl-methylamino]-7,16-dimethyl-3,19-dioxo-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-38-carboxamide;3-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-2-nitroaniline;4-fluoro-3-nitrobenzamide;1-(4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[2-amino-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-1-yl]butyl]carbamate;tert-butyl N-[5-[3-[(4-methoxyphenyl)methyl-methylamino]-2-nitrophenyl]pentyl]carbamate;1,3-difluoro-2-nitrobenzene;2-[5-(5-ethoxycarbonyl-1-ethyl-3-methylpyrazol-4-yl)pentyl]-5-methylpyrazole-3-carboxylic acid;ethyl 4-[5-[5-[[1-[4-(2-amino-5-carbamoyl-2,3-dihydroindol-1-yl)butyl]-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-1-ethyl-3-methylpyrazole-5-carboxylate;ethyl 4-[5-[5-[[1-[4-(4-carbamoyl-2-nitroanilino)butyl]-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-1-ethyl-3-methylpyrazole-5-carboxylate;ethyl 1-ethyl-4-[5-[5-[[4-[(4-methoxyphenyl)methyl-methylamino]-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-3-methylpyrazole-5-carboxylate;5-ethyl-24-[(4-methoxyphenyl)methyl-methylamino]-7,16-dimethyl-3,19-dioxo-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-38-carboxamide;3-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-2-nitroaniline;4-fluoro-3-nitrobenzamide;1-(4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[2-amino-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-1-yl]butyl]carbamate;tert-butyl N-[5-[3-[(4-methoxyphenyl)methyl-methylamino]-2-nitrophenyl]pentyl]carbamate;1,3-difluoro-2-nitrobenzene;2-[5-(5-ethoxycarbonyl-1-ethyl-3-methylpyrazol-4-yl)pentyl]-5-methylpyrazole-3-carboxylic acid;ethyl 4-[5-[5-[[1-[4-(2-amino-5-carbamoyl-2,3-dihydroindol-1-yl)butyl]-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-1-ethyl-3-methylpyrazole-5-carboxylate;ethyl 4-[5-[5-[[1-[4-(4-carbamoyl-2-nitroanilino)butyl]-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-1-ethyl-3-methylpyrazole-5-carboxylate;ethyl 1-ethyl-4-[5-[5-[[4-[(4-methoxyphenyl)methyl-methylamino]-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-3-methylpyrazole-5-carboxylate;5-ethyl-24-[(4-methoxyphenyl)methyl-methylamino]-7,16-dimethyl-3,19-dioxo-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-38-carboxamide;3-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-2-nitroaniline;4-fluoro-3-nitrobenzamide;1-(4-methoxyphenyl)-N-methylmethanamine is CC(C)(C)OC(=O)NCCCCN.CCOC(=O)c1c(CCCCCn2nc(C)cc2C(=O)Nc2nc3c(N(C)Cc4ccc(OC)cc4)cccc3n2CCCCN2c3ccc(C(N)=O)cc3CC2N)c(C)nn1CC.CCOC(=O)c1c(CCCCCn2nc(C)cc2C(=O)Nc2nc3c(N(C)Cc4ccc(OC)cc4)cccc3n2CCCCNC(=O)OC(C)(C)C)c(C)nn1CC.CCOC(=O)c1c(CCCCCn2nc(C)cc2C(=O)Nc2nc3c(N(C)Cc4ccc(OC)cc4)cccc3n2CCCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])c(C)nn1CC.CCOC(=O)c1c(CCCCCn2nc(C)cc2C(=O)O)c(C)nn1CC.CCn1nc(C)c2c1C(=O)Nc1nc3cc(C(N)=O)ccc3n1CCCCn1c(nc3c(N(C)Cc4ccc(OC)cc4)cccc31)NC(=O)c1cc(C)nn1CCCCC2.CNCc1ccc(OC)cc1.COc1ccc(CN(C)c2cccc(CCCCCNC(=O)OC(C)(C)C)c2[N+](=O)[O-])cc1.COc1ccc(CN(C)c2cccc(F)c2[N+](=O)[O-])cc1.COc1ccc(CN(C)c2cccc3c2nc(N)n3CCCCNC(=O)OC(C)(C)C)cc1.NC(=O)c1ccc(F)c([N+](=O)[O-])c1.O=[N+]([O-])c1c(F)cccc1F.
What is the InChIKey of tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[2-amino-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-1-yl]butyl]carbamate;tert-butyl N-[5-[3-[(4-methoxyphenyl)methyl-methylamino]-2-nitrophenyl]pentyl]carbamate;1,3-difluoro-2-nitrobenzene;2-[5-(5-ethoxycarbonyl-1-ethyl-3-methylpyrazol-4-yl)pentyl]-5-methylpyrazole-3-carboxylic acid;ethyl 4-[5-[5-[[1-[4-(2-amino-5-carbamoyl-2,3-dihydroindol-1-yl)butyl]-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-1-ethyl-3-methylpyrazole-5-carboxylate;ethyl 4-[5-[5-[[1-[4-(4-carbamoyl-2-nitroanilino)butyl]-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-1-ethyl-3-methylpyrazole-5-carboxylate;ethyl 1-ethyl-4-[5-[5-[[4-[(4-methoxyphenyl)methyl-methylamino]-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-3-methylpyrazole-5-carboxylate;5-ethyl-24-[(4-methoxyphenyl)methyl-methylamino]-7,16-dimethyl-3,19-dioxo-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-38-carboxamide;3-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-2-nitroaniline;4-fluoro-3-nitrobenzamide;1-(4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is MRHGUFWIZOTPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H61N11O5.C46H57N11O7.C45H52N12O4.C44H61N9O6.C25H35N5O3.C25H35N3O5.C19H28N4O4.C15H15FN2O3.C9H20N2O2.C9H13NO.C7H5FN2O3.C6H3F2NO2/c1-7-58-44(47(62)64-8-2)37(32(4)54-58)15-10-9-11-26-59-41(27-31(3)53-59)46(61)52-48-51-43-39(55(5)30-33-18-21-36(63-6)22-19-33)16-14-17-40(43)57(48)25-13-12-24-56-38-23-20-34(45(50)60)28-35(38)29-42(56)49;1-7-55-42(45(60)64-8-2)35(31(4)52-55)15-10-9-12-26-56-40(27-30(3)51-56)44(59)50-46-49-41-37(53(5)29-32-18-21-34(63-6)22-19-32)16-14-17-38(41)54(46)25-13-11-24-48-36-23-20-33(43(47)58)28-39(36)57(61)62;1-6-56-40-33(29(3)52-56)13-8-7-9-24-57-38(25-28(2)51-57)42(59)49-45-48-39-36(53(4)27-30-16-19-32(61-5)20-17-30)14-12-15-37(39)55(45)23-11-10-22-54-35-21-18-31(41(46)58)26-34(35)47-44(54)50-43(40)60;1-10-52-39(41(55)58-11-2)34(31(4)49-52)18-13-12-15-27-53-37(28-30(3)48-53)40(54)47-42-46-38-35(50(8)29-32-21-23-33(57-9)24-22-32)19-17-20-36(38)51(42)26-16-14-25-45-43(56)59-44(5,6)7;1-25(2,3)33-24(31)27-15-6-7-16-30-21-10-8-9-20(22(21)28-23(30)26)29(4)17-18-11-13-19(32-5)14-12-18;1-25(2,3)33-24(29)26-17-8-6-7-10-20-11-9-12-22(23(20)28(30)31)27(4)18-19-13-15-21(32-5)16-14-19;1-5-22-17(19(26)27-6-2)15(14(4)21-22)10-8-7-9-11-23-16(18(24)25)12-13(3)20-23;1-17(10-11-6-8-12(21-2)9-7-11)14-5-3-4-13(16)15(14)18(19)20;1-9(2,3)13-8(12)11-7-5-4-6-10;1-10-7-8-3-5-9(11-2)6-4-8;8-5-2-1-4(7(9)11)3-6(5)10(12)13;7-4-2-1-3-5(8)6(4)9(10)11/h14,16-23,27-28,42H,7-13,15,24-26,29-30,49H2,1-6H3,(H2,50,60)(H,51,52,61);14,16-23,27-28,48H,7-13,15,24-26,29H2,1-6H3,(H2,47,58)(H,49,50,59);12,14-21,25-26H,6-11,13,22-24,27H2,1-5H3,(H2,46,58)(H,47,50,60)(H,48,49,59);17,19-24,28H,10-16,18,25-27,29H2,1-9H3,(H,45,56)(H,46,47,54);8-14H,6-7,15-17H2,1-5H3,(H2,26,28)(H,27,31);9,11-16H,6-8,10,17-18H2,1-5H3,(H,26,29);12H,5-11H2,1-4H3,(H,24,25);3-9H,10H2,1-2H3;4-7,10H2,1-3H3,(H,11,12);3-6,10H,7H2,1-2H3;1-3H,(H2,9,11);1-3H.
What are the key properties of tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[2-amino-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-1-yl]butyl]carbamate;tert-butyl N-[5-[3-[(4-methoxyphenyl)methyl-methylamino]-2-nitrophenyl]pentyl]carbamate;1,3-difluoro-2-nitrobenzene;2-[5-(5-ethoxycarbonyl-1-ethyl-3-methylpyrazol-4-yl)pentyl]-5-methylpyrazole-3-carboxylic acid;ethyl 4-[5-[5-[[1-[4-(2-amino-5-carbamoyl-2,3-dihydroindol-1-yl)butyl]-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-1-ethyl-3-methylpyrazole-5-carboxylate;ethyl 4-[5-[5-[[1-[4-(4-carbamoyl-2-nitroanilino)butyl]-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-1-ethyl-3-methylpyrazole-5-carboxylate;ethyl 1-ethyl-4-[5-[5-[[4-[(4-methoxyphenyl)methyl-methylamino]-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-3-methylpyrazole-5-carboxylate;5-ethyl-24-[(4-methoxyphenyl)methyl-methylamino]-7,16-dimethyl-3,19-dioxo-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-38-carboxamide;3-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-2-nitroaniline;4-fluoro-3-nitrobenzamide;1-(4-methoxyphenyl)-N-methylmethanamine?
tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[2-amino-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-1-yl]butyl]carbamate;tert-butyl N-[5-[3-[(4-methoxyphenyl)methyl-methylamino]-2-nitrophenyl]pentyl]carbamate;1,3-difluoro-2-nitrobenzene;2-[5-(5-ethoxycarbonyl-1-ethyl-3-methylpyrazol-4-yl)pentyl]-5-methylpyrazole-3-carboxylic acid;ethyl 4-[5-[5-[[1-[4-(2-amino-5-carbamoyl-2,3-dihydroindol-1-yl)butyl]-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-1-ethyl-3-methylpyrazole-5-carboxylate;ethyl 4-[5-[5-[[1-[4-(4-carbamoyl-2-nitroanilino)butyl]-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-1-ethyl-3-methylpyrazole-5-carboxylate;ethyl 1-ethyl-4-[5-[5-[[4-[(4-methoxyphenyl)methyl-methylamino]-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-3-methylpyrazole-5-carboxylate;5-ethyl-24-[(4-methoxyphenyl)methyl-methylamino]-7,16-dimethyl-3,19-dioxo-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-38-carboxamide;3-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-2-nitroaniline;4-fluoro-3-nitrobenzamide;1-(4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 5645.75 g/mol, XLogP of 50.76, 115 rotatable bonds, 19 hydrogen bond donors, and 89 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[2-amino-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-1-yl]butyl]carbamate;tert-butyl N-[5-[3-[(4-methoxyphenyl)methyl-methylamino]-2-nitrophenyl]pentyl]carbamate;1,3-difluoro-2-nitrobenzene;2-[5-(5-ethoxycarbonyl-1-ethyl-3-methylpyrazol-4-yl)pentyl]-5-methylpyrazole-3-carboxylic acid;ethyl 4-[5-[5-[[1-[4-(2-amino-5-carbamoyl-2,3-dihydroindol-1-yl)butyl]-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-1-ethyl-3-methylpyrazole-5-carboxylate;ethyl 4-[5-[5-[[1-[4-(4-carbamoyl-2-nitroanilino)butyl]-4-[(4-methoxyphenyl)methyl-methylamino]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-1-ethyl-3-methylpyrazole-5-carboxylate;ethyl 1-ethyl-4-[5-[5-[[4-[(4-methoxyphenyl)methyl-methylamino]-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-3-methylpyrazole-5-carboxylate;5-ethyl-24-[(4-methoxyphenyl)methyl-methylamino]-7,16-dimethyl-3,19-dioxo-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-38-carboxamide;3-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-2-nitroaniline;4-fluoro-3-nitrobenzamide;1-(4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 159648738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).