About 1-N,3-N-bis[3-(diethylamino)propyl]-5-[[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-phenylpropan-2-yl]diazenyl]benzoyl]amino]benzene-1,3-dicarboxamide;N-[3,5-bis[1-[2-(methylideneamino)ethylamino]oxycyclohexyl]phenyl]-4-[[1-[4-chloro-5-(hydroxymethyl)-2-methoxyanilino]-1,3-dioxobutan-2-yl]diazenyl]benzamide;2-[[3,5-bis[4-[2-(methylideneamino)ethylamino]oxyoxan-4-yl]phenyl]diazenyl]-N-[4-chloro-5-(hydroxymethyl)-2-methoxyphenyl]-3-oxobutanamide;2-[[3,5-bis[1-[(methylideneamino)methylamino]oxycyclopentyl]phenyl]diazenyl]-N-[4-chloro-5-(hydroxymethyl)-2-methoxyphenyl]-3-oxobutanamide;5-[[1-cyano-2-oxo-2-[(2-oxo-1,3-dihydroindol-6-yl)amino]ethyl]diazenyl]-1-N,3-N-bis[3-(diethylamino)propyl]benzene-1,3-dicarboxamide
1-N,3-N-bis[3-(diethylamino)propyl]-5-[[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-phenylpropan-2-yl]diazenyl]benzoyl]amino]benzene-1,3-dicarboxamide;N-[3,5-bis[1-[2-(methylideneamino)ethylamino]oxycyclohexyl]phenyl]-4-[[1-[4-chloro-5-(hydroxymethyl)-2-methoxyanilino]-1,3-dioxobutan-2-yl]diazenyl]benzamide;2-[[3,5-bis[4-[2-(methylideneamino)ethylamino]oxyoxan-4-yl]phenyl]diazenyl]-N-[4-chloro-5-(hydroxymethyl)-2-methoxyphenyl]-3-oxobutanamide;2-[[3,5-bis[1-[(methylideneamino)methylamino]oxycyclopentyl]phenyl]diazenyl]-N-[4-chloro-5-(hydroxymethyl)-2-methoxyphenyl]-3-oxobutanamide;5-[[1-cyano-2-oxo-2-[(2-oxo-1,3-dihydroindol-6-yl)amino]ethyl]diazenyl]-1-N,3-N-bis[3-(diethylamino)propyl]benzene-1,3-dicarboxamide (PubChem CID 158950136) has the molecular formula C188H243Cl3N40O31
and a molecular weight of 3665.62 g/mol. Its IUPAC name is 1-N,3-N-bis[3-(diethylamino)propyl]-5-[[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-phenylpropan-2-yl]diazenyl]benzoyl]amino]benzene-1,3-dicarboxamide;N-[3,5-bis[1-[2-(methylideneamino)ethylamino]oxycyclohexyl]phenyl]-4-[[1-[4-chloro-5-(hydroxymethyl)-2-methoxyanilino]-1,3-dioxobutan-2-yl]diazenyl]benzamide;2-[[3,5-bis[4-[2-(methylideneamino)ethylamino]oxyoxan-4-yl]phenyl]diazenyl]-N-[4-chloro-5-(hydroxymethyl)-2-methoxyphenyl]-3-oxobutanamide;2-[[3,5-bis[1-[(methylideneamino)methylamino]oxycyclopentyl]phenyl]diazenyl]-N-[4-chloro-5-(hydroxymethyl)-2-methoxyphenyl]-3-oxobutanamide;5-[[1-cyano-2-oxo-2-[(2-oxo-1,3-dihydroindol-6-yl)amino]ethyl]diazenyl]-1-N,3-N-bis[3-(diethylamino)propyl]benzene-1,3-dicarboxamide.
Frequently Asked Questions
What is the IUPAC name of 1-N,3-N-bis[3-(diethylamino)propyl]-5-[[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-phenylpropan-2-yl]diazenyl]benzoyl]amino]benzene-1,3-dicarboxamide;N-[3,5-bis[1-[2-(methylideneamino)ethylamino]oxycyclohexyl]phenyl]-4-[[1-[4-chloro-5-(hydroxymethyl)-2-methoxyanilino]-1,3-dioxobutan-2-yl]diazenyl]benzamide;2-[[3,5-bis[4-[2-(methylideneamino)ethylamino]oxyoxan-4-yl]phenyl]diazenyl]-N-[4-chloro-5-(hydroxymethyl)-2-methoxyphenyl]-3-oxobutanamide;2-[[3,5-bis[1-[(methylideneamino)methylamino]oxycyclopentyl]phenyl]diazenyl]-N-[4-chloro-5-(hydroxymethyl)-2-methoxyphenyl]-3-oxobutanamide;5-[[1-cyano-2-oxo-2-[(2-oxo-1,3-dihydroindol-6-yl)amino]ethyl]diazenyl]-1-N,3-N-bis[3-(diethylamino)propyl]benzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis[3-(diethylamino)propyl]-5-[[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-phenylpropan-2-yl]diazenyl]benzoyl]amino]benzene-1,3-dicarboxamide;N-[3,5-bis[1-[2-(methylideneamino)ethylamino]oxycyclohexyl]phenyl]-4-[[1-[4-chloro-5-(hydroxymethyl)-2-methoxyanilino]-1,3-dioxobutan-2-yl]diazenyl]benzamide;2-[[3,5-bis[4-[2-(methylideneamino)ethylamino]oxyoxan-4-yl]phenyl]diazenyl]-N-[4-chloro-5-(hydroxymethyl)-2-methoxyphenyl]-3-oxobutanamide;2-[[3,5-bis[1-[(methylideneamino)methylamino]oxycyclopentyl]phenyl]diazenyl]-N-[4-chloro-5-(hydroxymethyl)-2-methoxyphenyl]-3-oxobutanamide;5-[[1-cyano-2-oxo-2-[(2-oxo-1,3-dihydroindol-6-yl)amino]ethyl]diazenyl]-1-N,3-N-bis[3-(diethylamino)propyl]benzene-1,3-dicarboxamide (CID 158950136) is 1-N,3-N-bis[3-(diethylamino)propyl]-5-[[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-phenylpropan-2-yl]diazenyl]benzoyl]amino]benzene-1,3-dicarboxamide;N-[3,5-bis[1-[2-(methylideneamino)ethylamino]oxycyclohexyl]phenyl]-4-[[1-[4-chloro-5-(hydroxymethyl)-2-methoxyanilino]-1,3-dioxobutan-2-yl]diazenyl]benzamide;2-[[3,5-bis[4-[2-(methylideneamino)ethylamino]oxyoxan-4-yl]phenyl]diazenyl]-N-[4-chloro-5-(hydroxymethyl)-2-methoxyphenyl]-3-oxobutanamide;2-[[3,5-bis[1-[(methylideneamino)methylamino]oxycyclopentyl]phenyl]diazenyl]-N-[4-chloro-5-(hydroxymethyl)-2-methoxyphenyl]-3-oxobutanamide;5-[[1-cyano-2-oxo-2-[(2-oxo-1,3-dihydroindol-6-yl)amino]ethyl]diazenyl]-1-N,3-N-bis[3-(diethylamino)propyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis[3-(diethylamino)propyl]-5-[[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-phenylpropan-2-yl]diazenyl]benzoyl]amino]benzene-1,3-dicarboxamide;N-[3,5-bis[1-[2-(methylideneamino)ethylamino]oxycyclohexyl]phenyl]-4-[[1-[4-chloro-5-(hydroxymethyl)-2-methoxyanilino]-1,3-dioxobutan-2-yl]diazenyl]benzamide;2-[[3,5-bis[4-[2-(methylideneamino)ethylamino]oxyoxan-4-yl]phenyl]diazenyl]-N-[4-chloro-5-(hydroxymethyl)-2-methoxyphenyl]-3-oxobutanamide;2-[[3,5-bis[1-[(methylideneamino)methylamino]oxycyclopentyl]phenyl]diazenyl]-N-[4-chloro-5-(hydroxymethyl)-2-methoxyphenyl]-3-oxobutanamide;5-[[1-cyano-2-oxo-2-[(2-oxo-1,3-dihydroindol-6-yl)amino]ethyl]diazenyl]-1-N,3-N-bis[3-(diethylamino)propyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis[3-(diethylamino)propyl]-5-[[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-phenylpropan-2-yl]diazenyl]benzoyl]amino]benzene-1,3-dicarboxamide;N-[3,5-bis[1-[2-(methylideneamino)ethylamino]oxycyclohexyl]phenyl]-4-[[1-[4-chloro-5-(hydroxymethyl)-2-methoxyanilino]-1,3-dioxobutan-2-yl]diazenyl]benzamide;2-[[3,5-bis[4-[2-(methylideneamino)ethylamino]oxyoxan-4-yl]phenyl]diazenyl]-N-[4-chloro-5-(hydroxymethyl)-2-methoxyphenyl]-3-oxobutanamide;2-[[3,5-bis[1-[(methylideneamino)methylamino]oxycyclopentyl]phenyl]diazenyl]-N-[4-chloro-5-(hydroxymethyl)-2-methoxyphenyl]-3-oxobutanamide;5-[[1-cyano-2-oxo-2-[(2-oxo-1,3-dihydroindol-6-yl)amino]ethyl]diazenyl]-1-N,3-N-bis[3-(diethylamino)propyl]benzene-1,3-dicarboxamide is C=NCCNOC1(c2cc(/N=N/C(C(C)=O)C(=O)Nc3cc(CO)c(Cl)cc3OC)cc(C3(ONCCN=C)CCOCC3)c2)CCOCC1.C=NCCNOC1(c2cc(NC(=O)c3ccc(/N=N/C(C(C)=O)C(=O)Nc4cc(CO)c(Cl)cc4OC)cc3)cc(C3(ONCCN=C)CCCCC3)c2)CCCCC1.C=NCNOC1(c2cc(/N=N/C(C(C)=O)C(=O)Nc3cc(CO)c(Cl)cc3OC)cc(C3(ONCN=C)CCCC3)c2)CCCC1.CCN(CC)CCCNC(=O)c1cc(/N=N/C(C#N)C(=O)Nc2ccc3c(c2)NC(=O)C3)cc(C(=O)NCCCN(CC)CC)c1.CCN(CC)CCCNC(=O)c1cc(NC(=O)c2ccc(/N=N/C(C(=O)Nc3ccc4c(c3)NC(=O)C4)C(=O)c3ccccc3)cc2)cc(C(=O)NCCCN(CC)CC)c1.
What is the InChIKey of 1-N,3-N-bis[3-(diethylamino)propyl]-5-[[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-phenylpropan-2-yl]diazenyl]benzoyl]amino]benzene-1,3-dicarboxamide;N-[3,5-bis[1-[2-(methylideneamino)ethylamino]oxycyclohexyl]phenyl]-4-[[1-[4-chloro-5-(hydroxymethyl)-2-methoxyanilino]-1,3-dioxobutan-2-yl]diazenyl]benzamide;2-[[3,5-bis[4-[2-(methylideneamino)ethylamino]oxyoxan-4-yl]phenyl]diazenyl]-N-[4-chloro-5-(hydroxymethyl)-2-methoxyphenyl]-3-oxobutanamide;2-[[3,5-bis[1-[(methylideneamino)methylamino]oxycyclopentyl]phenyl]diazenyl]-N-[4-chloro-5-(hydroxymethyl)-2-methoxyphenyl]-3-oxobutanamide;5-[[1-cyano-2-oxo-2-[(2-oxo-1,3-dihydroindol-6-yl)amino]ethyl]diazenyl]-1-N,3-N-bis[3-(diethylamino)propyl]benzene-1,3-dicarboxamide?
The InChIKey is JLHXWOAMHDAICP-RFQZEKPLSA-N. The full InChI is InChI=1S/C46H55N9O6.C43H55ClN8O7.C34H46ClN7O8.C33H45N9O4.C32H42ClN7O6/c1-5-54(6-2)24-12-22-47-43(58)34-26-35(44(59)48-23-13-25-55(7-3)8-4)28-38(27-34)50-45(60)32-16-19-36(20-17-32)52-53-41(42(57)31-14-10-9-11-15-31)46(61)49-37-21-18-33-29-40(56)51-39(33)30-37;1-29(54)39(41(56)50-37-23-31(28-53)36(44)27-38(37)57-4)52-51-34-13-11-30(12-14-34)40(55)49-35-25-32(42(15-7-5-8-16-42)58-47-21-19-45-2)24-33(26-35)43(17-9-6-10-18-43)59-48-22-20-46-3;1-23(44)31(32(45)40-29-17-24(22-43)28(35)21-30(29)46-4)42-41-27-19-25(33(5-13-47-14-6-33)49-38-11-9-36-2)18-26(20-27)34(7-15-48-16-8-34)50-39-12-10-37-3;1-5-41(6-2)15-9-13-35-31(44)24-17-25(32(45)36-14-10-16-42(7-3)8-4)19-27(18-24)39-40-29(22-34)33(46)37-26-12-11-23-20-30(43)38-28(23)21-26;1-21(42)29(30(43)38-27-13-22(18-41)26(33)17-28(27)44-4)40-39-25-15-23(31(9-5-6-10-31)45-36-19-34-2)14-24(16-25)32(11-7-8-12-32)46-37-20-35-3/h9-11,14-21,26-28,30,41H,5-8,12-13,22-25,29H2,1-4H3,(H,47,58)(H,48,59)(H,49,61)(H,50,60)(H,51,56);11-14,23-27,39,47-48,53H,2-3,5-10,15-22,28H2,1,4H3,(H,49,55)(H,50,56);17-21,31,38-39,43H,2-3,5-16,22H2,1,4H3,(H,40,45);11-12,17-19,21,29H,5-10,13-16,20H2,1-4H3,(H,35,44)(H,36,45)(H,37,46)(H,38,43);13-17,29,36-37,41H,2-3,5-12,18-20H2,1,4H3,(H,38,43)/b53-52+;52-51+;42-41+;2*40-39+.
What are the key properties of 1-N,3-N-bis[3-(diethylamino)propyl]-5-[[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-phenylpropan-2-yl]diazenyl]benzoyl]amino]benzene-1,3-dicarboxamide;N-[3,5-bis[1-[2-(methylideneamino)ethylamino]oxycyclohexyl]phenyl]-4-[[1-[4-chloro-5-(hydroxymethyl)-2-methoxyanilino]-1,3-dioxobutan-2-yl]diazenyl]benzamide;2-[[3,5-bis[4-[2-(methylideneamino)ethylamino]oxyoxan-4-yl]phenyl]diazenyl]-N-[4-chloro-5-(hydroxymethyl)-2-methoxyphenyl]-3-oxobutanamide;2-[[3,5-bis[1-[(methylideneamino)methylamino]oxycyclopentyl]phenyl]diazenyl]-N-[4-chloro-5-(hydroxymethyl)-2-methoxyphenyl]-3-oxobutanamide;5-[[1-cyano-2-oxo-2-[(2-oxo-1,3-dihydroindol-6-yl)amino]ethyl]diazenyl]-1-N,3-N-bis[3-(diethylamino)propyl]benzene-1,3-dicarboxamide?
1-N,3-N-bis[3-(diethylamino)propyl]-5-[[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-phenylpropan-2-yl]diazenyl]benzoyl]amino]benzene-1,3-dicarboxamide;N-[3,5-bis[1-[2-(methylideneamino)ethylamino]oxycyclohexyl]phenyl]-4-[[1-[4-chloro-5-(hydroxymethyl)-2-methoxyanilino]-1,3-dioxobutan-2-yl]diazenyl]benzamide;2-[[3,5-bis[4-[2-(methylideneamino)ethylamino]oxyoxan-4-yl]phenyl]diazenyl]-N-[4-chloro-5-(hydroxymethyl)-2-methoxyphenyl]-3-oxobutanamide;2-[[3,5-bis[1-[(methylideneamino)methylamino]oxycyclopentyl]phenyl]diazenyl]-N-[4-chloro-5-(hydroxymethyl)-2-methoxyphenyl]-3-oxobutanamide;5-[[1-cyano-2-oxo-2-[(2-oxo-1,3-dihydroindol-6-yl)amino]ethyl]diazenyl]-1-N,3-N-bis[3-(diethylamino)propyl]benzene-1,3-dicarboxamide has a molecular weight of 3665.62 g/mol, XLogP of 26.98, 97 rotatable bonds, 22 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis[3-(diethylamino)propyl]-5-[[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-phenylpropan-2-yl]diazenyl]benzoyl]amino]benzene-1,3-dicarboxamide;N-[3,5-bis[1-[2-(methylideneamino)ethylamino]oxycyclohexyl]phenyl]-4-[[1-[4-chloro-5-(hydroxymethyl)-2-methoxyanilino]-1,3-dioxobutan-2-yl]diazenyl]benzamide;2-[[3,5-bis[4-[2-(methylideneamino)ethylamino]oxyoxan-4-yl]phenyl]diazenyl]-N-[4-chloro-5-(hydroxymethyl)-2-methoxyphenyl]-3-oxobutanamide;2-[[3,5-bis[1-[(methylideneamino)methylamino]oxycyclopentyl]phenyl]diazenyl]-N-[4-chloro-5-(hydroxymethyl)-2-methoxyphenyl]-3-oxobutanamide;5-[[1-cyano-2-oxo-2-[(2-oxo-1,3-dihydroindol-6-yl)amino]ethyl]diazenyl]-1-N,3-N-bis[3-(diethylamino)propyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 158950136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).