5-[aminooxy-[4-[[1-[4-chloro-5-(hydroxymethyl)-2-methoxyanilino]-1,3-dioxobutan-2-yl]diazenyl]phenyl]methyl]-1-N,3-N-bis(3-morpholin-4-ylpropyl)benzene-1,3-dicarboxamide;5-[aminooxy-[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-phenylpropan-2-yl]diazenyl]phenyl]methyl]-1-N,3-N-bis[3-(diethylamino)propyl]benzene-1,3-dicarboxamide;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

C152H197Cl2N33O25 — CID 159411992

About 5-[aminooxy-[4-[[1-[4-chloro-5-(hydroxymethyl)-2-methoxyanilino]-1,3-dioxobutan-2-yl]diazenyl]phenyl]methyl]-1-N,3-N-bis(3-morpholin-4-ylpropyl)benzene-1,3-dicarboxamide;5-[aminooxy-[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-phenylpropan-2-yl]diazenyl]phenyl]methyl]-1-N,3-N-bis[3-(diethylamino)propyl]benzene-1,3-dicarboxamide;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

5-[aminooxy-[4-[[1-[4-chloro-5-(hydroxymethyl)-2-methoxyanilino]-1,3-dioxobutan-2-yl]diazenyl]phenyl]methyl]-1-N,3-N-bis(3-morpholin-4-ylpropyl)benzene-1,3-dicarboxamide;5-[aminooxy-[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-phenylpropan-2-yl]diazenyl]phenyl]methyl]-1-N,3-N-bis[3-(diethylamino)propyl]benzene-1,3-dicarboxamide;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 159411992) has the molecular formula C152H197Cl2N33O25 and a molecular weight of 2957.36 g/mol. Its IUPAC name is 5-[aminooxy-[4-[[1-[4-chloro-5-(hydroxymethyl)-2-methoxyanilino]-1,3-dioxobutan-2-yl]diazenyl]phenyl]methyl]-1-N,3-N-bis(3-morpholin-4-ylpropyl)benzene-1,3-dicarboxamide;5-[aminooxy-[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-phenylpropan-2-yl]diazenyl]phenyl]methyl]-1-N,3-N-bis[3-(diethylamino)propyl]benzene-1,3-dicarboxamide;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.

Molecular Properties

• Compound Name: 5-[aminooxy-[4-[[1-[4-chloro-5-(hydroxymethyl)-2-methoxyanilino]-1,3-dioxobutan-2-yl]diazenyl]phenyl]methyl]-1-N,3-N-bis(3-morpholin-4-ylpropyl)benzene-1,3-dicarboxamide;5-[aminooxy-[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-phenylpropan-2-yl]diazenyl]phenyl]methyl]-1-N,3-N-bis[3-(diethylamino)propyl]benzene-1,3-dicarboxamide;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: 159411992
• Molecular Formula: C152H197Cl2N33O25
• Molecular Weight: 2957.36 g/mol
• Exact Mass: 2954.45
• IUPAC Name: 5-[aminooxy-[4-[[1-[4-chloro-5-(hydroxymethyl)-2-methoxyanilino]-1,3-dioxobutan-2-yl]diazenyl]phenyl]methyl]-1-N,3-N-bis(3-morpholin-4-ylpropyl)benzene-1,3-dicarboxamide;5-[aminooxy-[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-phenylpropan-2-yl]diazenyl]phenyl]methyl]-1-N,3-N-bis[3-(diethylamino)propyl]benzene-1,3-dicarboxamide;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
• SMILES: 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(C(=O)NCCCN(CC)CC)cc(C(ON)c2ccc(/N=N/C(C(=O)Nc3ccc4c(c3)NC(=O)C4)C(=O)c3ccccc3)cc2)c1.COc1cc(Cl)c(CO)cc1NC(=O)C(/N=N/c1ccc(C(ON)c2cc(C(=O)NCCCN3CCOCC3)cc(C(=O)NCCCN3CCOCC3)c2)cc1)C(C)=O
• InChI: InChI=1S/C46H57N9O6.C41H53ClN8O9.C33H45N9O4.C32H42ClN7O6/c1-5-54(6-2)24-12-22-48-44(58)35-26-34(27-36(28-35)45(59)49-23-13-25-55(7-3)8-4)43(61-47)32-16-19-37(20-17-32)52-53-41(42(57)31-14-10-9-11-15-31)46(60)50-38-21-18-33-29-40(56)51-39(33)30-38;1-27(52)37(41(55)46-35-24-32(26-51)34(42)25-36(35)56-2)48-47-33-7-5-28(6-8-33)38(59-43)29-21-30(39(53)44-9-3-11-49-13-17-57-18-14-49)23-31(22-29)40(54)45-10-4-12-50-15-19-58-20-16-50;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/h9-11,14-21,26-28,30,41,43H,5-8,12-13,22-25,29,47H2,1-4H3,(H,48,58)(H,49,59)(H,50,60)(H,51,56);5-8,21-25,37-38,51H,3-4,9-20,26,43H2,1-2H3,(H,44,53)(H,45,54)(H,46,55);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+;48-47+;2*40-39+
• InChIKey: LOROKQNIHPBQLJ-ONWAUDLNSA-N
• XLogP: 18.60
• TPSA: 757.64 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 46
• Rotatable Bonds: 78
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2957.36
LogP ≤ 5	18.60
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[aminooxy-[4-[[1-[4-chloro-5-(hydroxymethyl)-2-methoxyanilino]-1,3-dioxobutan-2-yl]diazenyl]phenyl]methyl]-1-N,3-N-bis(3-morpholin-4-ylpropyl)benzene-1,3-dicarboxamide;5-[aminooxy-[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-phenylpropan-2-yl]diazenyl]phenyl]methyl]-1-N,3-N-bis[3-(diethylamino)propyl]benzene-1,3-dicarboxamide;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 5-[aminooxy-[4-[[1-[4-chloro-5-(hydroxymethyl)-2-methoxyanilino]-1,3-dioxobutan-2-yl]diazenyl]phenyl]methyl]-1-N,3-N-bis(3-morpholin-4-ylpropyl)benzene-1,3-dicarboxamide;5-[aminooxy-[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-phenylpropan-2-yl]diazenyl]phenyl]methyl]-1-N,3-N-bis[3-(diethylamino)propyl]benzene-1,3-dicarboxamide;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 159411992) is 5-[aminooxy-[4-[[1-[4-chloro-5-(hydroxymethyl)-2-methoxyanilino]-1,3-dioxobutan-2-yl]diazenyl]phenyl]methyl]-1-N,3-N-bis(3-morpholin-4-ylpropyl)benzene-1,3-dicarboxamide;5-[aminooxy-[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-phenylpropan-2-yl]diazenyl]phenyl]methyl]-1-N,3-N-bis[3-(diethylamino)propyl]benzene-1,3-dicarboxamide;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 5-[aminooxy-[4-[[1-[4-chloro-5-(hydroxymethyl)-2-methoxyanilino]-1,3-dioxobutan-2-yl]diazenyl]phenyl]methyl]-1-N,3-N-bis(3-morpholin-4-ylpropyl)benzene-1,3-dicarboxamide;5-[aminooxy-[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-phenylpropan-2-yl]diazenyl]phenyl]methyl]-1-N,3-N-bis[3-(diethylamino)propyl]benzene-1,3-dicarboxamide;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 5-[aminooxy-[4-[[1-[4-chloro-5-(hydroxymethyl)-2-methoxyanilino]-1,3-dioxobutan-2-yl]diazenyl]phenyl]methyl]-1-N,3-N-bis(3-morpholin-4-ylpropyl)benzene-1,3-dicarboxamide;5-[aminooxy-[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-phenylpropan-2-yl]diazenyl]phenyl]methyl]-1-N,3-N-bis[3-(diethylamino)propyl]benzene-1,3-dicarboxamide;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=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(C(=O)NCCCN(CC)CC)cc(C(ON)c2ccc(/N=N/C(C(=O)Nc3ccc4c(c3)NC(=O)C4)C(=O)c3ccccc3)cc2)c1.COc1cc(Cl)c(CO)cc1NC(=O)C(/N=N/c1ccc(C(ON)c2cc(C(=O)NCCCN3CCOCC3)cc(C(=O)NCCCN3CCOCC3)c2)cc1)C(C)=O.

What is the InChIKey of 5-[aminooxy-[4-[[1-[4-chloro-5-(hydroxymethyl)-2-methoxyanilino]-1,3-dioxobutan-2-yl]diazenyl]phenyl]methyl]-1-N,3-N-bis(3-morpholin-4-ylpropyl)benzene-1,3-dicarboxamide;5-[aminooxy-[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-phenylpropan-2-yl]diazenyl]phenyl]methyl]-1-N,3-N-bis[3-(diethylamino)propyl]benzene-1,3-dicarboxamide;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 LOROKQNIHPBQLJ-ONWAUDLNSA-N. The full InChI is InChI=1S/C46H57N9O6.C41H53ClN8O9.C33H45N9O4.C32H42ClN7O6/c1-5-54(6-2)24-12-22-48-44(58)35-26-34(27-36(28-35)45(59)49-23-13-25-55(7-3)8-4)43(61-47)32-16-19-37(20-17-32)52-53-41(42(57)31-14-10-9-11-15-31)46(60)50-38-21-18-33-29-40(56)51-39(33)30-38;1-27(52)37(41(55)46-35-24-32(26-51)34(42)25-36(35)56-2)48-47-33-7-5-28(6-8-33)38(59-43)29-21-30(39(53)44-9-3-11-49-13-17-57-18-14-49)23-31(22-29)40(54)45-10-4-12-50-15-19-58-20-16-50;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/h9-11,14-21,26-28,30,41,43H,5-8,12-13,22-25,29,47H2,1-4H3,(H,48,58)(H,49,59)(H,50,60)(H,51,56);5-8,21-25,37-38,51H,3-4,9-20,26,43H2,1-2H3,(H,44,53)(H,45,54)(H,46,55);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+;48-47+;2*40-39+.

What are the key properties of 5-[aminooxy-[4-[[1-[4-chloro-5-(hydroxymethyl)-2-methoxyanilino]-1,3-dioxobutan-2-yl]diazenyl]phenyl]methyl]-1-N,3-N-bis(3-morpholin-4-ylpropyl)benzene-1,3-dicarboxamide;5-[aminooxy-[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-phenylpropan-2-yl]diazenyl]phenyl]methyl]-1-N,3-N-bis[3-(diethylamino)propyl]benzene-1,3-dicarboxamide;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?

5-[aminooxy-[4-[[1-[4-chloro-5-(hydroxymethyl)-2-methoxyanilino]-1,3-dioxobutan-2-yl]diazenyl]phenyl]methyl]-1-N,3-N-bis(3-morpholin-4-ylpropyl)benzene-1,3-dicarboxamide;5-[aminooxy-[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-phenylpropan-2-yl]diazenyl]phenyl]methyl]-1-N,3-N-bis[3-(diethylamino)propyl]benzene-1,3-dicarboxamide;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 2957.36 g/mol, XLogP of 18.60, 78 rotatable bonds, 18 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[aminooxy-[4-[[1-[4-chloro-5-(hydroxymethyl)-2-methoxyanilino]-1,3-dioxobutan-2-yl]diazenyl]phenyl]methyl]-1-N,3-N-bis(3-morpholin-4-ylpropyl)benzene-1,3-dicarboxamide;5-[aminooxy-[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]-3-phenylpropan-2-yl]diazenyl]phenyl]methyl]-1-N,3-N-bis[3-(diethylamino)propyl]benzene-1,3-dicarboxamide;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 159411992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).