N-[3-(3-butylimidazol-1-ium-1-yl)propyl]-4-[5-[3-(3-hydroxypropyl)imidazol-3-ium-1-yl]pentanoyl]benzamide;[5-[4-[3-[dimethyl-[[4-[3-(4-methylphenyl)propyl]phenyl]methyl]azaniumyl]propylcarbamoyl]phenyl]-5-oxopentyl]-[(4-ethylphenyl)methyl]-dimethylazanium;3-[[4-[5-[dimethyl(propyl)azaniumyl]pentanoyl]benzoyl]amino]propyl-dimethyl-[[4-[(trimethylazaniumyl)methyl]phenyl]methyl]azanium;[4-[[dimethyl-[3-[[4-[5-(trimethylazaniumyl)pentanoyl]benzoyl]amino]propyl]azaniumyl]methyl]phenyl]methyl-[2-[(4-ethylphenyl)methyl-bis(2-hydroxyethyl)azaniumyl]ethyl]-bis(2-hydroxyethyl)azanium;[4-[[dimethyl-[3-[[4-[5-(trimethylazaniumyl)pentanoyl]benzoyl]amino]propyl]azaniumyl]methyl]phenyl]methyl-[2-[2-[(4-ethylphenyl)methyl-dimethylazaniumyl]ethoxy]ethyl]-dimethylazanium;1-[3-(3-ethylimidazol-1-ium-1-yl)propyl]-3-[N-[3-[3-[(4-ethylphenyl)methyl]imidazol-3-ium-1-yl]propylcarbamoyl]carbamimidoyl]urea;[4-[2-[(4-ethylphenyl)methoxy]ethoxymethyl]phenyl]methyl-[3-[(4-hexanoylbenzoyl)amino]propyl]-dimethylazanium;(4-ethylphenyl)methyl-dimethyl-[3-[[N-[3-(trimethylazaniumyl)propylcarbamoyl]carbamimidoyl]carbamoylamino]propyl]azanium

C284H440N40O24+20 — CID 162175323

IUPACN-[3-(3-butylimidazol-1-ium-1-yl)propyl]-4-[5-[3-(3-hydroxypropyl)imidazol-3-ium-1-yl]pentanoyl]benzamide;[5-[4-[3-[dimethyl-[[4-[3-(4-methylphenyl)propyl]phenyl]methyl]azaniumyl]propylcarbamoyl]phenyl]-5-oxopentyl]-[(4-ethylphenyl)methyl]-dimethylazanium;3-[[4-[5-[dimethyl(propyl)azaniumyl]pentanoyl]benzoyl]amino]propyl-dimethyl-[[4-[(trimethylazaniumyl)methyl]phenyl]methyl]azanium;[4-[[dimethyl-[3-[[4-[5-(trimethylazaniumyl)pentanoyl]benzoyl]amino]propyl]azaniumyl]methyl]phenyl]methyl-[2-[(4-ethylphenyl)methyl-bis(2-hydroxyethyl)azaniumyl]ethyl]-bis(2-hydroxyethyl)azanium;[4-[[dimethyl-[3-[[4-[5-(trimethylazaniumyl)pentanoyl]benzoyl]amino]propyl]azaniumyl]methyl]phenyl]methyl-[2-[2-[(4-ethylphenyl)methyl-dimethylazaniumyl]ethoxy]ethyl]-dimethylazanium;1-[3-(3-ethylimidazol-1-ium-1-yl)propyl]-3-[N-[3-[3-[(4-ethylphenyl)methyl]imidazol-3-ium-1-yl]propylcarbamoyl]carbamimidoyl]urea;[4-[2-[(4-ethylphenyl)methoxy]ethoxymethyl]phenyl]methyl-[3-[(4-hexanoylbenzoyl)amino]propyl]-dimethylazanium;(4-ethylphenyl)methyl-dimethyl-[3-[[N-[3-(trimethylazaniumyl)propylcarbamoyl]carbamimidoyl]carbamoylamino]propyl]azanium
SMILESCCCCCC(=O)c1ccc(C(=O)NCCC[N+](C)(C)Cc2ccc(COCCOCc3ccc(CC)cc3)cc2)cc1.CCCCn1cc[n+](CCCNC(=O)c2ccc(C(=O)CCCCn3cc[n+](CCCO)c3)cc2)c1.CCC[N+](C)(C)CCCCC(=O)c1ccc(C(=O)NCCC[N+](C)(C)Cc2ccc(C[N+](C)(C)C)cc2)cc1.CCc1ccc(C[N+](C)(C)CCCCC(=O)c2ccc(C(=O)NCCC[N+](C)(C)Cc3ccc(CCCc4ccc(C)cc4)cc3)cc2)cc1.CCc1ccc(C[N+](C)(C)CCOCC[N+](C)(C)Cc2ccc(C[N+](C)(C)CCCNC(=O)c3ccc(C(=O)CCCC[N+](C)(C)C)cc3)cc2)cc1.CCc1ccc(C[N+](CCO)(CCO)CC[N+](CCO)(CCO)Cc2ccc(C[N+](C)(C)CCCNC(=O)c3ccc(C(=O)CCCC[N+](C)(C)C)cc3)cc2)cc1.[H]/N=C(/NC(=O)NCCCn1cc[n+](Cc2ccc(CC)cc2)c1)NC(=O)NCCC[n+]1ccn(CC)c1.[H]/N=C(\NC(=O)NCCC[N+](C)(C)C)NC(=O)NCCC[N+](C)(C)Cc1ccc(CC)cc1
InChIInChI=1S/C47H76N5O6.C45H72N5O3.C45H60N3O2.C37H50N2O4.C33H54N4O2.C28H40N5O3.C26H37N9O2.C23H41N7O2/c1-7-40-12-14-42(15-13-40)38-51(29-33-53,30-34-54)27-28-52(31-35-55,32-36-56)39-43-18-16-41(17-19-43)37-50(5,6)26-10-24-48-47(58)45-22-20-44(21-23-45)46(57)11-8-9-25-49(2,3)4;1-11-38-16-18-39(19-17-38)36-49(7,8)31-33-53-34-32-50(9,10)37-41-22-20-40(21-23-41)35-48(5,6)30-14-28-46-45(52)43-26-24-42(25-27-43)44(51)15-12-13-29-47(2,3)4;1-7-37-19-23-40(24-20-37)34-47(3,4)32-9-8-14-44(49)42-27-29-43(30-28-42)45(50)46-31-11-33-48(5,6)35-41-25-21-39(22-26-41)13-10-12-38-17-15-36(2)16-18-38;1-5-7-8-10-36(40)34-19-21-35(22-20-34)37(41)38-23-9-24-39(3,4)27-31-13-17-33(18-14-31)29-43-26-25-42-28-32-15-11-30(6-2)12-16-32;1-9-23-36(5,6)24-11-10-13-32(38)30-18-20-31(21-19-30)33(39)34-22-12-25-37(7,8)27-29-16-14-28(15-17-29)26-35(2,3)4;1-2-3-14-30-18-20-32(23-30)16-6-13-29-28(36)26-11-9-25(10-12-26)27(35)8-4-5-15-31-19-21-33(24-31)17-7-22-34;1-3-22-7-9-23(10-8-22)19-35-18-17-34(21-35)14-6-12-29-26(37)31-24(27)30-25(36)28-11-5-13-33-16-15-32(4-2)20-33;1-7-19-10-12-20(13-11-19)18-30(5,6)17-9-15-26-23(32)28-21(24)27-22(31)25-14-8-16-29(2,3)4/h12-23,53-56H,7-11,24-39H2,1-6H3;16-27H,11-15,28-37H2,1-10H3;15-30H,7-14,31-35H2,1-6H3;11-22H,5-10,23-29H2,1-4H3;14-21H,9-13,22-27H2,1-8H3;9-12,18-21,23-24,34H,2-8,13-17,22H2,1H3;7-10,15-18,20-21H,3-6,11-14,19H2,1-2H3,(H3-2,27,28,29,30,31,36,37);10-13H,7-9,14-18H2,1-6H3,(H3-2,24,25,26,27,28,31,32)/q2*+3;+1;;+2;+1;;/p+10
InChIKeyWUPIODKWDBBUQT-UHFFFAOYSA-X
MW4798.90 g/mol
LogP37.89
Rot. Bonds150

About N-[3-(3-butylimidazol-1-ium-1-yl)propyl]-4-[5-[3-(3-hydroxypropyl)imidazol-3-ium-1-yl]pentanoyl]benzamide;[5-[4-[3-[dimethyl-[[4-[3-(4-methylphenyl)propyl]phenyl]methyl]azaniumyl]propylcarbamoyl]phenyl]-5-oxopentyl]-[(4-ethylphenyl)methyl]-dimethylazanium;3-[[4-[5-[dimethyl(propyl)azaniumyl]pentanoyl]benzoyl]amino]propyl-dimethyl-[[4-[(trimethylazaniumyl)methyl]phenyl]methyl]azanium;[4-[[dimethyl-[3-[[4-[5-(trimethylazaniumyl)pentanoyl]benzoyl]amino]propyl]azaniumyl]methyl]phenyl]methyl-[2-[(4-ethylphenyl)methyl-bis(2-hydroxyethyl)azaniumyl]ethyl]-bis(2-hydroxyethyl)azanium;[4-[[dimethyl-[3-[[4-[5-(trimethylazaniumyl)pentanoyl]benzoyl]amino]propyl]azaniumyl]methyl]phenyl]methyl-[2-[2-[(4-ethylphenyl)methyl-dimethylazaniumyl]ethoxy]ethyl]-dimethylazanium;1-[3-(3-ethylimidazol-1-ium-1-yl)propyl]-3-[N-[3-[3-[(4-ethylphenyl)methyl]imidazol-3-ium-1-yl]propylcarbamoyl]carbamimidoyl]urea;[4-[2-[(4-ethylphenyl)methoxy]ethoxymethyl]phenyl]methyl-[3-[(4-hexanoylbenzoyl)amino]propyl]-dimethylazanium;(4-ethylphenyl)methyl-dimethyl-[3-[[N-[3-(trimethylazaniumyl)propylcarbamoyl]carbamimidoyl]carbamoylamino]propyl]azanium

N-[3-(3-butylimidazol-1-ium-1-yl)propyl]-4-[5-[3-(3-hydroxypropyl)imidazol-3-ium-1-yl]pentanoyl]benzamide;[5-[4-[3-[dimethyl-[[4-[3-(4-methylphenyl)propyl]phenyl]methyl]azaniumyl]propylcarbamoyl]phenyl]-5-oxopentyl]-[(4-ethylphenyl)methyl]-dimethylazanium;3-[[4-[5-[dimethyl(propyl)azaniumyl]pentanoyl]benzoyl]amino]propyl-dimethyl-[[4-[(trimethylazaniumyl)methyl]phenyl]methyl]azanium;[4-[[dimethyl-[3-[[4-[5-(trimethylazaniumyl)pentanoyl]benzoyl]amino]propyl]azaniumyl]methyl]phenyl]methyl-[2-[(4-ethylphenyl)methyl-bis(2-hydroxyethyl)azaniumyl]ethyl]-bis(2-hydroxyethyl)azanium;[4-[[dimethyl-[3-[[4-[5-(trimethylazaniumyl)pentanoyl]benzoyl]amino]propyl]azaniumyl]methyl]phenyl]methyl-[2-[2-[(4-ethylphenyl)methyl-dimethylazaniumyl]ethoxy]ethyl]-dimethylazanium;1-[3-(3-ethylimidazol-1-ium-1-yl)propyl]-3-[N-[3-[3-[(4-ethylphenyl)methyl]imidazol-3-ium-1-yl]propylcarbamoyl]carbamimidoyl]urea;[4-[2-[(4-ethylphenyl)methoxy]ethoxymethyl]phenyl]methyl-[3-[(4-hexanoylbenzoyl)amino]propyl]-dimethylazanium;(4-ethylphenyl)methyl-dimethyl-[3-[[N-[3-(trimethylazaniumyl)propylcarbamoyl]carbamimidoyl]carbamoylamino]propyl]azanium (PubChem CID 162175323) has the molecular formula C284H440N40O24+20 and a molecular weight of 4798.90 g/mol. Its IUPAC name is N-[3-(3-butylimidazol-1-ium-1-yl)propyl]-4-[5-[3-(3-hydroxypropyl)imidazol-3-ium-1-yl]pentanoyl]benzamide;[5-[4-[3-[dimethyl-[[4-[3-(4-methylphenyl)propyl]phenyl]methyl]azaniumyl]propylcarbamoyl]phenyl]-5-oxopentyl]-[(4-ethylphenyl)methyl]-dimethylazanium;3-[[4-[5-[dimethyl(propyl)azaniumyl]pentanoyl]benzoyl]amino]propyl-dimethyl-[[4-[(trimethylazaniumyl)methyl]phenyl]methyl]azanium;[4-[[dimethyl-[3-[[4-[5-(trimethylazaniumyl)pentanoyl]benzoyl]amino]propyl]azaniumyl]methyl]phenyl]methyl-[2-[(4-ethylphenyl)methyl-bis(2-hydroxyethyl)azaniumyl]ethyl]-bis(2-hydroxyethyl)azanium;[4-[[dimethyl-[3-[[4-[5-(trimethylazaniumyl)pentanoyl]benzoyl]amino]propyl]azaniumyl]methyl]phenyl]methyl-[2-[2-[(4-ethylphenyl)methyl-dimethylazaniumyl]ethoxy]ethyl]-dimethylazanium;1-[3-(3-ethylimidazol-1-ium-1-yl)propyl]-3-[N-[3-[3-[(4-ethylphenyl)methyl]imidazol-3-ium-1-yl]propylcarbamoyl]carbamimidoyl]urea;[4-[2-[(4-ethylphenyl)methoxy]ethoxymethyl]phenyl]methyl-[3-[(4-hexanoylbenzoyl)amino]propyl]-dimethylazanium;(4-ethylphenyl)methyl-dimethyl-[3-[[N-[3-(trimethylazaniumyl)propylcarbamoyl]carbamimidoyl]carbamoylamino]propyl]azanium.

Molecular Properties

Compound NameN-[3-(3-butylimidazol-1-ium-1-yl)propyl]-4-[5-[3-(3-hydroxypropyl)imidazol-3-ium-1-yl]pentanoyl]benzamide;[5-[4-[3-[dimethyl-[[4-[3-(4-methylphenyl)propyl]phenyl]methyl]azaniumyl]propylcarbamoyl]phenyl]-5-oxopentyl]-[(4-ethylphenyl)methyl]-dimethylazanium;3-[[4-[5-[dimethyl(propyl)azaniumyl]pentanoyl]benzoyl]amino]propyl-dimethyl-[[4-[(trimethylazaniumyl)methyl]phenyl]methyl]azanium;[4-[[dimethyl-[3-[[4-[5-(trimethylazaniumyl)pentanoyl]benzoyl]amino]propyl]azaniumyl]methyl]phenyl]methyl-[2-[(4-ethylphenyl)methyl-bis(2-hydroxyethyl)azaniumyl]ethyl]-bis(2-hydroxyethyl)azanium;[4-[[dimethyl-[3-[[4-[5-(trimethylazaniumyl)pentanoyl]benzoyl]amino]propyl]azaniumyl]methyl]phenyl]methyl-[2-[2-[(4-ethylphenyl)methyl-dimethylazaniumyl]ethoxy]ethyl]-dimethylazanium;1-[3-(3-ethylimidazol-1-ium-1-yl)propyl]-3-[N-[3-[3-[(4-ethylphenyl)methyl]imidazol-3-ium-1-yl]propylcarbamoyl]carbamimidoyl]urea;[4-[2-[(4-ethylphenyl)methoxy]ethoxymethyl]phenyl]methyl-[3-[(4-hexanoylbenzoyl)amino]propyl]-dimethylazanium;(4-ethylphenyl)methyl-dimethyl-[3-[[N-[3-(trimethylazaniumyl)propylcarbamoyl]carbamimidoyl]carbamoylamino]propyl]azanium
PubChem CID162175323
Molecular FormulaC284H440N40O24+20
Molecular Weight4798.90 g/mol
Exact Mass4795.43
IUPAC NameN-[3-(3-butylimidazol-1-ium-1-yl)propyl]-4-[5-[3-(3-hydroxypropyl)imidazol-3-ium-1-yl]pentanoyl]benzamide;[5-[4-[3-[dimethyl-[[4-[3-(4-methylphenyl)propyl]phenyl]methyl]azaniumyl]propylcarbamoyl]phenyl]-5-oxopentyl]-[(4-ethylphenyl)methyl]-dimethylazanium;3-[[4-[5-[dimethyl(propyl)azaniumyl]pentanoyl]benzoyl]amino]propyl-dimethyl-[[4-[(trimethylazaniumyl)methyl]phenyl]methyl]azanium;[4-[[dimethyl-[3-[[4-[5-(trimethylazaniumyl)pentanoyl]benzoyl]amino]propyl]azaniumyl]methyl]phenyl]methyl-[2-[(4-ethylphenyl)methyl-bis(2-hydroxyethyl)azaniumyl]ethyl]-bis(2-hydroxyethyl)azanium;[4-[[dimethyl-[3-[[4-[5-(trimethylazaniumyl)pentanoyl]benzoyl]amino]propyl]azaniumyl]methyl]phenyl]methyl-[2-[2-[(4-ethylphenyl)methyl-dimethylazaniumyl]ethoxy]ethyl]-dimethylazanium;1-[3-(3-ethylimidazol-1-ium-1-yl)propyl]-3-[N-[3-[3-[(4-ethylphenyl)methyl]imidazol-3-ium-1-yl]propylcarbamoyl]carbamimidoyl]urea;[4-[2-[(4-ethylphenyl)methoxy]ethoxymethyl]phenyl]methyl-[3-[(4-hexanoylbenzoyl)amino]propyl]-dimethylazanium;(4-ethylphenyl)methyl-dimethyl-[3-[[N-[3-(trimethylazaniumyl)propylcarbamoyl]carbamimidoyl]carbamoylamino]propyl]azanium
SMILESCCCCCC(=O)c1ccc(C(=O)NCCC[N+](C)(C)Cc2ccc(COCCOCc3ccc(CC)cc3)cc2)cc1.CCCCn1cc[n+](CCCNC(=O)c2ccc(C(=O)CCCCn3cc[n+](CCCO)c3)cc2)c1.CCC[N+](C)(C)CCCCC(=O)c1ccc(C(=O)NCCC[N+](C)(C)Cc2ccc(C[N+](C)(C)C)cc2)cc1.CCc1ccc(C[N+](C)(C)CCCCC(=O)c2ccc(C(=O)NCCC[N+](C)(C)Cc3ccc(CCCc4ccc(C)cc4)cc3)cc2)cc1.CCc1ccc(C[N+](C)(C)CCOCC[N+](C)(C)Cc2ccc(C[N+](C)(C)CCCNC(=O)c3ccc(C(=O)CCCC[N+](C)(C)C)cc3)cc2)cc1.CCc1ccc(C[N+](CCO)(CCO)CC[N+](CCO)(CCO)Cc2ccc(C[N+](C)(C)CCCNC(=O)c3ccc(C(=O)CCCC[N+](C)(C)C)cc3)cc2)cc1.[H]/N=C(/NC(=O)NCCCn1cc[n+](Cc2ccc(CC)cc2)c1)NC(=O)NCCC[n+]1ccn(CC)c1.[H]/N=C(\NC(=O)NCCC[N+](C)(C)C)NC(=O)NCCC[N+](C)(C)Cc1ccc(CC)cc1
InChIInChI=1S/C47H76N5O6.C45H72N5O3.C45H60N3O2.C37H50N2O4.C33H54N4O2.C28H40N5O3.C26H37N9O2.C23H41N7O2/c1-7-40-12-14-42(15-13-40)38-51(29-33-53,30-34-54)27-28-52(31-35-55,32-36-56)39-43-18-16-41(17-19-43)37-50(5,6)26-10-24-48-47(58)45-22-20-44(21-23-45)46(57)11-8-9-25-49(2,3)4;1-11-38-16-18-39(19-17-38)36-49(7,8)31-33-53-34-32-50(9,10)37-41-22-20-40(21-23-41)35-48(5,6)30-14-28-46-45(52)43-26-24-42(25-27-43)44(51)15-12-13-29-47(2,3)4;1-7-37-19-23-40(24-20-37)34-47(3,4)32-9-8-14-44(49)42-27-29-43(30-28-42)45(50)46-31-11-33-48(5,6)35-41-25-21-39(22-26-41)13-10-12-38-17-15-36(2)16-18-38;1-5-7-8-10-36(40)34-19-21-35(22-20-34)37(41)38-23-9-24-39(3,4)27-31-13-17-33(18-14-31)29-43-26-25-42-28-32-15-11-30(6-2)12-16-32;1-9-23-36(5,6)24-11-10-13-32(38)30-18-20-31(21-19-30)33(39)34-22-12-25-37(7,8)27-29-16-14-28(15-17-29)26-35(2,3)4;1-2-3-14-30-18-20-32(23-30)16-6-13-29-28(36)26-11-9-25(10-12-26)27(35)8-4-5-15-31-19-21-33(24-31)17-7-22-34;1-3-22-7-9-23(10-8-22)19-35-18-17-34(21-35)14-6-12-29-26(37)31-24(27)30-25(36)28-11-5-13-33-16-15-32(4-2)20-33;1-7-19-10-12-20(13-11-19)18-30(5,6)17-9-15-26-23(32)28-21(24)27-22(31)25-14-8-16-29(2,3)4/h12-23,53-56H,7-11,24-39H2,1-6H3;16-27H,11-15,28-37H2,1-10H3;15-30H,7-14,31-35H2,1-6H3;11-22H,5-10,23-29H2,1-4H3;14-21H,9-13,22-27H2,1-8H3;9-12,18-21,23-24,34H,2-8,13-17,22H2,1H3;7-10,15-18,20-21H,3-6,11-14,19H2,1-2H3,(H3-2,27,28,29,30,31,36,37);10-13H,7-9,14-18H2,1-6H3,(H3-2,24,25,26,27,28,31,32)/q2*+3;+1;;+2;+1;;/p+10
InChIKeyWUPIODKWDBBUQT-UHFFFAOYSA-X
XLogP37.89
TPSA653.32 Ų
H-Bond Donors21
H-Bond Acceptors30
Rotatable Bonds150
Heavy Atoms348
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004798.90
LogP ≤ 537.89
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1030

Analyze N-[3-(3-butylimidazol-1-ium-1-yl)propyl]-4-[5-[3-(3-hydroxypropyl)imidazol-3-ium-1-yl]pentanoyl]benzamide;[5-[4-[3-[dimethyl-[[4-[3-(4-methylphenyl)propyl]phenyl]methyl]azaniumyl]propylcarbamoyl]phenyl]-5-oxopentyl]-[(4-ethylphenyl)methyl]-dimethylazanium;3-[[4-[5-[dimethyl(propyl)azaniumyl]pentanoyl]benzoyl]amino]propyl-dimethyl-[[4-[(trimethylazaniumyl)methyl]phenyl]methyl]azanium;[4-[[dimethyl-[3-[[4-[5-(trimethylazaniumyl)pentanoyl]benzoyl]amino]propyl]azaniumyl]methyl]phenyl]methyl-[2-[(4-ethylphenyl)methyl-bis(2-hydroxyethyl)azaniumyl]ethyl]-bis(2-hydroxyethyl)azanium;[4-[[dimethyl-[3-[[4-[5-(trimethylazaniumyl)pentanoyl]benzoyl]amino]propyl]azaniumyl]methyl]phenyl]methyl-[2-[2-[(4-ethylphenyl)methyl-dimethylazaniumyl]ethoxy]ethyl]-dimethylazanium;1-[3-(3-ethylimidazol-1-ium-1-yl)propyl]-3-[N-[3-[3-[(4-ethylphenyl)methyl]imidazol-3-ium-1-yl]propylcarbamoyl]carbamimidoyl]urea;[4-[2-[(4-ethylphenyl)methoxy]ethoxymethyl]phenyl]methyl-[3-[(4-hexanoylbenzoyl)amino]propyl]-dimethylazanium;(4-ethylphenyl)methyl-dimethyl-[3-[[N-[3-(trimethylazaniumyl)propylcarbamoyl]carbamimidoyl]carbamoylamino]propyl]azanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-butylimidazol-1-ium-1-yl)propyl]-4-[5-[3-(3-hydroxypropyl)imidazol-3-ium-1-yl]pentanoyl]benzamide;[5-[4-[3-[dimethyl-[[4-[3-(4-methylphenyl)propyl]phenyl]methyl]azaniumyl]propylcarbamoyl]phenyl]-5-oxopentyl]-[(4-ethylphenyl)methyl]-dimethylazanium;3-[[4-[5-[dimethyl(propyl)azaniumyl]pentanoyl]benzoyl]amino]propyl-dimethyl-[[4-[(trimethylazaniumyl)methyl]phenyl]methyl]azanium;[4-[[dimethyl-[3-[[4-[5-(trimethylazaniumyl)pentanoyl]benzoyl]amino]propyl]azaniumyl]methyl]phenyl]methyl-[2-[(4-ethylphenyl)methyl-bis(2-hydroxyethyl)azaniumyl]ethyl]-bis(2-hydroxyethyl)azanium;[4-[[dimethyl-[3-[[4-[5-(trimethylazaniumyl)pentanoyl]benzoyl]amino]propyl]azaniumyl]methyl]phenyl]methyl-[2-[2-[(4-ethylphenyl)methyl-dimethylazaniumyl]ethoxy]ethyl]-dimethylazanium;1-[3-(3-ethylimidazol-1-ium-1-yl)propyl]-3-[N-[3-[3-[(4-ethylphenyl)methyl]imidazol-3-ium-1-yl]propylcarbamoyl]carbamimidoyl]urea;[4-[2-[(4-ethylphenyl)methoxy]ethoxymethyl]phenyl]methyl-[3-[(4-hexanoylbenzoyl)amino]propyl]-dimethylazanium;(4-ethylphenyl)methyl-dimethyl-[3-[[N-[3-(trimethylazaniumyl)propylcarbamoyl]carbamimidoyl]carbamoylamino]propyl]azanium?
The IUPAC name of N-[3-(3-butylimidazol-1-ium-1-yl)propyl]-4-[5-[3-(3-hydroxypropyl)imidazol-3-ium-1-yl]pentanoyl]benzamide;[5-[4-[3-[dimethyl-[[4-[3-(4-methylphenyl)propyl]phenyl]methyl]azaniumyl]propylcarbamoyl]phenyl]-5-oxopentyl]-[(4-ethylphenyl)methyl]-dimethylazanium;3-[[4-[5-[dimethyl(propyl)azaniumyl]pentanoyl]benzoyl]amino]propyl-dimethyl-[[4-[(trimethylazaniumyl)methyl]phenyl]methyl]azanium;[4-[[dimethyl-[3-[[4-[5-(trimethylazaniumyl)pentanoyl]benzoyl]amino]propyl]azaniumyl]methyl]phenyl]methyl-[2-[(4-ethylphenyl)methyl-bis(2-hydroxyethyl)azaniumyl]ethyl]-bis(2-hydroxyethyl)azanium;[4-[[dimethyl-[3-[[4-[5-(trimethylazaniumyl)pentanoyl]benzoyl]amino]propyl]azaniumyl]methyl]phenyl]methyl-[2-[2-[(4-ethylphenyl)methyl-dimethylazaniumyl]ethoxy]ethyl]-dimethylazanium;1-[3-(3-ethylimidazol-1-ium-1-yl)propyl]-3-[N-[3-[3-[(4-ethylphenyl)methyl]imidazol-3-ium-1-yl]propylcarbamoyl]carbamimidoyl]urea;[4-[2-[(4-ethylphenyl)methoxy]ethoxymethyl]phenyl]methyl-[3-[(4-hexanoylbenzoyl)amino]propyl]-dimethylazanium;(4-ethylphenyl)methyl-dimethyl-[3-[[N-[3-(trimethylazaniumyl)propylcarbamoyl]carbamimidoyl]carbamoylamino]propyl]azanium (CID 162175323) is N-[3-(3-butylimidazol-1-ium-1-yl)propyl]-4-[5-[3-(3-hydroxypropyl)imidazol-3-ium-1-yl]pentanoyl]benzamide;[5-[4-[3-[dimethyl-[[4-[3-(4-methylphenyl)propyl]phenyl]methyl]azaniumyl]propylcarbamoyl]phenyl]-5-oxopentyl]-[(4-ethylphenyl)methyl]-dimethylazanium;3-[[4-[5-[dimethyl(propyl)azaniumyl]pentanoyl]benzoyl]amino]propyl-dimethyl-[[4-[(trimethylazaniumyl)methyl]phenyl]methyl]azanium;[4-[[dimethyl-[3-[[4-[5-(trimethylazaniumyl)pentanoyl]benzoyl]amino]propyl]azaniumyl]methyl]phenyl]methyl-[2-[(4-ethylphenyl)methyl-bis(2-hydroxyethyl)azaniumyl]ethyl]-bis(2-hydroxyethyl)azanium;[4-[[dimethyl-[3-[[4-[5-(trimethylazaniumyl)pentanoyl]benzoyl]amino]propyl]azaniumyl]methyl]phenyl]methyl-[2-[2-[(4-ethylphenyl)methyl-dimethylazaniumyl]ethoxy]ethyl]-dimethylazanium;1-[3-(3-ethylimidazol-1-ium-1-yl)propyl]-3-[N-[3-[3-[(4-ethylphenyl)methyl]imidazol-3-ium-1-yl]propylcarbamoyl]carbamimidoyl]urea;[4-[2-[(4-ethylphenyl)methoxy]ethoxymethyl]phenyl]methyl-[3-[(4-hexanoylbenzoyl)amino]propyl]-dimethylazanium;(4-ethylphenyl)methyl-dimethyl-[3-[[N-[3-(trimethylazaniumyl)propylcarbamoyl]carbamimidoyl]carbamoylamino]propyl]azanium.
What is the SMILES notation for N-[3-(3-butylimidazol-1-ium-1-yl)propyl]-4-[5-[3-(3-hydroxypropyl)imidazol-3-ium-1-yl]pentanoyl]benzamide;[5-[4-[3-[dimethyl-[[4-[3-(4-methylphenyl)propyl]phenyl]methyl]azaniumyl]propylcarbamoyl]phenyl]-5-oxopentyl]-[(4-ethylphenyl)methyl]-dimethylazanium;3-[[4-[5-[dimethyl(propyl)azaniumyl]pentanoyl]benzoyl]amino]propyl-dimethyl-[[4-[(trimethylazaniumyl)methyl]phenyl]methyl]azanium;[4-[[dimethyl-[3-[[4-[5-(trimethylazaniumyl)pentanoyl]benzoyl]amino]propyl]azaniumyl]methyl]phenyl]methyl-[2-[(4-ethylphenyl)methyl-bis(2-hydroxyethyl)azaniumyl]ethyl]-bis(2-hydroxyethyl)azanium;[4-[[dimethyl-[3-[[4-[5-(trimethylazaniumyl)pentanoyl]benzoyl]amino]propyl]azaniumyl]methyl]phenyl]methyl-[2-[2-[(4-ethylphenyl)methyl-dimethylazaniumyl]ethoxy]ethyl]-dimethylazanium;1-[3-(3-ethylimidazol-1-ium-1-yl)propyl]-3-[N-[3-[3-[(4-ethylphenyl)methyl]imidazol-3-ium-1-yl]propylcarbamoyl]carbamimidoyl]urea;[4-[2-[(4-ethylphenyl)methoxy]ethoxymethyl]phenyl]methyl-[3-[(4-hexanoylbenzoyl)amino]propyl]-dimethylazanium;(4-ethylphenyl)methyl-dimethyl-[3-[[N-[3-(trimethylazaniumyl)propylcarbamoyl]carbamimidoyl]carbamoylamino]propyl]azanium?
The canonical SMILES for N-[3-(3-butylimidazol-1-ium-1-yl)propyl]-4-[5-[3-(3-hydroxypropyl)imidazol-3-ium-1-yl]pentanoyl]benzamide;[5-[4-[3-[dimethyl-[[4-[3-(4-methylphenyl)propyl]phenyl]methyl]azaniumyl]propylcarbamoyl]phenyl]-5-oxopentyl]-[(4-ethylphenyl)methyl]-dimethylazanium;3-[[4-[5-[dimethyl(propyl)azaniumyl]pentanoyl]benzoyl]amino]propyl-dimethyl-[[4-[(trimethylazaniumyl)methyl]phenyl]methyl]azanium;[4-[[dimethyl-[3-[[4-[5-(trimethylazaniumyl)pentanoyl]benzoyl]amino]propyl]azaniumyl]methyl]phenyl]methyl-[2-[(4-ethylphenyl)methyl-bis(2-hydroxyethyl)azaniumyl]ethyl]-bis(2-hydroxyethyl)azanium;[4-[[dimethyl-[3-[[4-[5-(trimethylazaniumyl)pentanoyl]benzoyl]amino]propyl]azaniumyl]methyl]phenyl]methyl-[2-[2-[(4-ethylphenyl)methyl-dimethylazaniumyl]ethoxy]ethyl]-dimethylazanium;1-[3-(3-ethylimidazol-1-ium-1-yl)propyl]-3-[N-[3-[3-[(4-ethylphenyl)methyl]imidazol-3-ium-1-yl]propylcarbamoyl]carbamimidoyl]urea;[4-[2-[(4-ethylphenyl)methoxy]ethoxymethyl]phenyl]methyl-[3-[(4-hexanoylbenzoyl)amino]propyl]-dimethylazanium;(4-ethylphenyl)methyl-dimethyl-[3-[[N-[3-(trimethylazaniumyl)propylcarbamoyl]carbamimidoyl]carbamoylamino]propyl]azanium is CCCCCC(=O)c1ccc(C(=O)NCCC[N+](C)(C)Cc2ccc(COCCOCc3ccc(CC)cc3)cc2)cc1.CCCCn1cc[n+](CCCNC(=O)c2ccc(C(=O)CCCCn3cc[n+](CCCO)c3)cc2)c1.CCC[N+](C)(C)CCCCC(=O)c1ccc(C(=O)NCCC[N+](C)(C)Cc2ccc(C[N+](C)(C)C)cc2)cc1.CCc1ccc(C[N+](C)(C)CCCCC(=O)c2ccc(C(=O)NCCC[N+](C)(C)Cc3ccc(CCCc4ccc(C)cc4)cc3)cc2)cc1.CCc1ccc(C[N+](C)(C)CCOCC[N+](C)(C)Cc2ccc(C[N+](C)(C)CCCNC(=O)c3ccc(C(=O)CCCC[N+](C)(C)C)cc3)cc2)cc1.CCc1ccc(C[N+](CCO)(CCO)CC[N+](CCO)(CCO)Cc2ccc(C[N+](C)(C)CCCNC(=O)c3ccc(C(=O)CCCC[N+](C)(C)C)cc3)cc2)cc1.[H]/N=C(/NC(=O)NCCCn1cc[n+](Cc2ccc(CC)cc2)c1)NC(=O)NCCC[n+]1ccn(CC)c1.[H]/N=C(\NC(=O)NCCC[N+](C)(C)C)NC(=O)NCCC[N+](C)(C)Cc1ccc(CC)cc1.
What is the InChIKey of N-[3-(3-butylimidazol-1-ium-1-yl)propyl]-4-[5-[3-(3-hydroxypropyl)imidazol-3-ium-1-yl]pentanoyl]benzamide;[5-[4-[3-[dimethyl-[[4-[3-(4-methylphenyl)propyl]phenyl]methyl]azaniumyl]propylcarbamoyl]phenyl]-5-oxopentyl]-[(4-ethylphenyl)methyl]-dimethylazanium;3-[[4-[5-[dimethyl(propyl)azaniumyl]pentanoyl]benzoyl]amino]propyl-dimethyl-[[4-[(trimethylazaniumyl)methyl]phenyl]methyl]azanium;[4-[[dimethyl-[3-[[4-[5-(trimethylazaniumyl)pentanoyl]benzoyl]amino]propyl]azaniumyl]methyl]phenyl]methyl-[2-[(4-ethylphenyl)methyl-bis(2-hydroxyethyl)azaniumyl]ethyl]-bis(2-hydroxyethyl)azanium;[4-[[dimethyl-[3-[[4-[5-(trimethylazaniumyl)pentanoyl]benzoyl]amino]propyl]azaniumyl]methyl]phenyl]methyl-[2-[2-[(4-ethylphenyl)methyl-dimethylazaniumyl]ethoxy]ethyl]-dimethylazanium;1-[3-(3-ethylimidazol-1-ium-1-yl)propyl]-3-[N-[3-[3-[(4-ethylphenyl)methyl]imidazol-3-ium-1-yl]propylcarbamoyl]carbamimidoyl]urea;[4-[2-[(4-ethylphenyl)methoxy]ethoxymethyl]phenyl]methyl-[3-[(4-hexanoylbenzoyl)amino]propyl]-dimethylazanium;(4-ethylphenyl)methyl-dimethyl-[3-[[N-[3-(trimethylazaniumyl)propylcarbamoyl]carbamimidoyl]carbamoylamino]propyl]azanium?
The InChIKey is WUPIODKWDBBUQT-UHFFFAOYSA-X. The full InChI is InChI=1S/C47H76N5O6.C45H72N5O3.C45H60N3O2.C37H50N2O4.C33H54N4O2.C28H40N5O3.C26H37N9O2.C23H41N7O2/c1-7-40-12-14-42(15-13-40)38-51(29-33-53,30-34-54)27-28-52(31-35-55,32-36-56)39-43-18-16-41(17-19-43)37-50(5,6)26-10-24-48-47(58)45-22-20-44(21-23-45)46(57)11-8-9-25-49(2,3)4;1-11-38-16-18-39(19-17-38)36-49(7,8)31-33-53-34-32-50(9,10)37-41-22-20-40(21-23-41)35-48(5,6)30-14-28-46-45(52)43-26-24-42(25-27-43)44(51)15-12-13-29-47(2,3)4;1-7-37-19-23-40(24-20-37)34-47(3,4)32-9-8-14-44(49)42-27-29-43(30-28-42)45(50)46-31-11-33-48(5,6)35-41-25-21-39(22-26-41)13-10-12-38-17-15-36(2)16-18-38;1-5-7-8-10-36(40)34-19-21-35(22-20-34)37(41)38-23-9-24-39(3,4)27-31-13-17-33(18-14-31)29-43-26-25-42-28-32-15-11-30(6-2)12-16-32;1-9-23-36(5,6)24-11-10-13-32(38)30-18-20-31(21-19-30)33(39)34-22-12-25-37(7,8)27-29-16-14-28(15-17-29)26-35(2,3)4;1-2-3-14-30-18-20-32(23-30)16-6-13-29-28(36)26-11-9-25(10-12-26)27(35)8-4-5-15-31-19-21-33(24-31)17-7-22-34;1-3-22-7-9-23(10-8-22)19-35-18-17-34(21-35)14-6-12-29-26(37)31-24(27)30-25(36)28-11-5-13-33-16-15-32(4-2)20-33;1-7-19-10-12-20(13-11-19)18-30(5,6)17-9-15-26-23(32)28-21(24)27-22(31)25-14-8-16-29(2,3)4/h12-23,53-56H,7-11,24-39H2,1-6H3;16-27H,11-15,28-37H2,1-10H3;15-30H,7-14,31-35H2,1-6H3;11-22H,5-10,23-29H2,1-4H3;14-21H,9-13,22-27H2,1-8H3;9-12,18-21,23-24,34H,2-8,13-17,22H2,1H3;7-10,15-18,20-21H,3-6,11-14,19H2,1-2H3,(H3-2,27,28,29,30,31,36,37);10-13H,7-9,14-18H2,1-6H3,(H3-2,24,25,26,27,28,31,32)/q2*+3;+1;;+2;+1;;/p+10.
What are the key properties of N-[3-(3-butylimidazol-1-ium-1-yl)propyl]-4-[5-[3-(3-hydroxypropyl)imidazol-3-ium-1-yl]pentanoyl]benzamide;[5-[4-[3-[dimethyl-[[4-[3-(4-methylphenyl)propyl]phenyl]methyl]azaniumyl]propylcarbamoyl]phenyl]-5-oxopentyl]-[(4-ethylphenyl)methyl]-dimethylazanium;3-[[4-[5-[dimethyl(propyl)azaniumyl]pentanoyl]benzoyl]amino]propyl-dimethyl-[[4-[(trimethylazaniumyl)methyl]phenyl]methyl]azanium;[4-[[dimethyl-[3-[[4-[5-(trimethylazaniumyl)pentanoyl]benzoyl]amino]propyl]azaniumyl]methyl]phenyl]methyl-[2-[(4-ethylphenyl)methyl-bis(2-hydroxyethyl)azaniumyl]ethyl]-bis(2-hydroxyethyl)azanium;[4-[[dimethyl-[3-[[4-[5-(trimethylazaniumyl)pentanoyl]benzoyl]amino]propyl]azaniumyl]methyl]phenyl]methyl-[2-[2-[(4-ethylphenyl)methyl-dimethylazaniumyl]ethoxy]ethyl]-dimethylazanium;1-[3-(3-ethylimidazol-1-ium-1-yl)propyl]-3-[N-[3-[3-[(4-ethylphenyl)methyl]imidazol-3-ium-1-yl]propylcarbamoyl]carbamimidoyl]urea;[4-[2-[(4-ethylphenyl)methoxy]ethoxymethyl]phenyl]methyl-[3-[(4-hexanoylbenzoyl)amino]propyl]-dimethylazanium;(4-ethylphenyl)methyl-dimethyl-[3-[[N-[3-(trimethylazaniumyl)propylcarbamoyl]carbamimidoyl]carbamoylamino]propyl]azanium?
N-[3-(3-butylimidazol-1-ium-1-yl)propyl]-4-[5-[3-(3-hydroxypropyl)imidazol-3-ium-1-yl]pentanoyl]benzamide;[5-[4-[3-[dimethyl-[[4-[3-(4-methylphenyl)propyl]phenyl]methyl]azaniumyl]propylcarbamoyl]phenyl]-5-oxopentyl]-[(4-ethylphenyl)methyl]-dimethylazanium;3-[[4-[5-[dimethyl(propyl)azaniumyl]pentanoyl]benzoyl]amino]propyl-dimethyl-[[4-[(trimethylazaniumyl)methyl]phenyl]methyl]azanium;[4-[[dimethyl-[3-[[4-[5-(trimethylazaniumyl)pentanoyl]benzoyl]amino]propyl]azaniumyl]methyl]phenyl]methyl-[2-[(4-ethylphenyl)methyl-bis(2-hydroxyethyl)azaniumyl]ethyl]-bis(2-hydroxyethyl)azanium;[4-[[dimethyl-[3-[[4-[5-(trimethylazaniumyl)pentanoyl]benzoyl]amino]propyl]azaniumyl]methyl]phenyl]methyl-[2-[2-[(4-ethylphenyl)methyl-dimethylazaniumyl]ethoxy]ethyl]-dimethylazanium;1-[3-(3-ethylimidazol-1-ium-1-yl)propyl]-3-[N-[3-[3-[(4-ethylphenyl)methyl]imidazol-3-ium-1-yl]propylcarbamoyl]carbamimidoyl]urea;[4-[2-[(4-ethylphenyl)methoxy]ethoxymethyl]phenyl]methyl-[3-[(4-hexanoylbenzoyl)amino]propyl]-dimethylazanium;(4-ethylphenyl)methyl-dimethyl-[3-[[N-[3-(trimethylazaniumyl)propylcarbamoyl]carbamimidoyl]carbamoylamino]propyl]azanium has a molecular weight of 4798.90 g/mol, XLogP of 37.89, 150 rotatable bonds, 21 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-butylimidazol-1-ium-1-yl)propyl]-4-[5-[3-(3-hydroxypropyl)imidazol-3-ium-1-yl]pentanoyl]benzamide;[5-[4-[3-[dimethyl-[[4-[3-(4-methylphenyl)propyl]phenyl]methyl]azaniumyl]propylcarbamoyl]phenyl]-5-oxopentyl]-[(4-ethylphenyl)methyl]-dimethylazanium;3-[[4-[5-[dimethyl(propyl)azaniumyl]pentanoyl]benzoyl]amino]propyl-dimethyl-[[4-[(trimethylazaniumyl)methyl]phenyl]methyl]azanium;[4-[[dimethyl-[3-[[4-[5-(trimethylazaniumyl)pentanoyl]benzoyl]amino]propyl]azaniumyl]methyl]phenyl]methyl-[2-[(4-ethylphenyl)methyl-bis(2-hydroxyethyl)azaniumyl]ethyl]-bis(2-hydroxyethyl)azanium;[4-[[dimethyl-[3-[[4-[5-(trimethylazaniumyl)pentanoyl]benzoyl]amino]propyl]azaniumyl]methyl]phenyl]methyl-[2-[2-[(4-ethylphenyl)methyl-dimethylazaniumyl]ethoxy]ethyl]-dimethylazanium;1-[3-(3-ethylimidazol-1-ium-1-yl)propyl]-3-[N-[3-[3-[(4-ethylphenyl)methyl]imidazol-3-ium-1-yl]propylcarbamoyl]carbamimidoyl]urea;[4-[2-[(4-ethylphenyl)methoxy]ethoxymethyl]phenyl]methyl-[3-[(4-hexanoylbenzoyl)amino]propyl]-dimethylazanium;(4-ethylphenyl)methyl-dimethyl-[3-[[N-[3-(trimethylazaniumyl)propylcarbamoyl]carbamimidoyl]carbamoylamino]propyl]azanium is sourced from PubChem (CID 162175323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).