tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate;1-(6-methoxy-1H-indol-3-yl)ethane-1,2-diamine;dihydrochloride

C105H133BrCl3N15O20 — CID 159914113

About tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate;1-(6-methoxy-1H-indol-3-yl)ethane-1,2-diamine;dihydrochloride

tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate;1-(6-methoxy-1H-indol-3-yl)ethane-1,2-diamine;dihydrochloride (PubChem CID 159914113) has the molecular formula C105H133BrCl3N15O20 and a molecular weight of 2111.57 g/mol. Its IUPAC name is tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate;1-(6-methoxy-1H-indol-3-yl)ethane-1,2-diamine;dihydrochloride.

Molecular Properties

• Compound Name: tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate;1-(6-methoxy-1H-indol-3-yl)ethane-1,2-diamine;dihydrochloride
• PubChem CID: 159914113
• Molecular Formula: C105H133BrCl3N15O20
• Molecular Weight: 2111.57 g/mol
• Exact Mass: 2107.81
• IUPAC Name: tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate;1-(6-methoxy-1H-indol-3-yl)ethane-1,2-diamine;dihydrochloride
• SMILES: CC(C)(C)OC(=O)NCC(NC(=O)OC(C)(C)C)c1c[nH]c2cc(Br)ccc12.CC(C)(C)OC(=O)NCC(c1c[nH]c2ccc(Cl)cc12)N(O)C(=O)OC(C)(C)C.CC(C)(C)OC(=O)NCC(c1c[nH]c2ccccc12)N(O)C(=O)OC(C)(C)C.COc1ccc2c(C(N)CN)c[nH]c2c1.Cl.Cl.O=C(CONC(=O)OCC1c2ccccc2-c2ccccc21)NC(COCc1ccccc1)c1c[nH]c2ccccc12
• InChI: InChI=1S/C34H31N3O5.C20H28BrN3O4.C20H28ClN3O5.C20H29N3O5.C11H15N3O.2ClH/c38-33(22-42-37-34(39)41-20-30-26-14-6-4-12-24(26)25-13-5-7-15-27(25)30)36-32(21-40-19-23-10-2-1-3-11-23)29-18-35-31-17-9-8-16-28(29)31;1-19(2,3)27-17(25)23-11-16(24-18(26)28-20(4,5)6)14-10-22-15-9-12(21)7-8-13(14)15;1-19(2,3)28-17(25)23-11-16(24(27)18(26)29-20(4,5)6)14-10-22-15-8-7-12(21)9-13(14)15;1-19(2,3)27-17(24)22-12-16(23(26)18(25)28-20(4,5)6)14-11-21-15-10-8-7-9-13(14)15;1-15-7-2-3-8-9(10(13)5-12)6-14-11(8)4-7;;/h1-18,30,32,35H,19-22H2,(H,36,38)(H,37,39);7-10,16,22H,11H2,1-6H3,(H,23,25)(H,24,26);7-10,16,22,27H,11H2,1-6H3,(H,23,25);7-11,16,21,26H,12H2,1-6H3,(H,22,24);2-4,6,10,14H,5,12-13H2,1H3;2*1H
• InChIKey: FAGRMOFYAVLTCI-UHFFFAOYSA-N
• XLogP: 22.39
• TPSA: 478.97 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 22
• Rotatable Bonds: 26
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2111.57
LogP ≤ 5	22.39
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate;1-(6-methoxy-1H-indol-3-yl)ethane-1,2-diamine;dihydrochloride?

The IUPAC name of tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate;1-(6-methoxy-1H-indol-3-yl)ethane-1,2-diamine;dihydrochloride (CID 159914113) is tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate;1-(6-methoxy-1H-indol-3-yl)ethane-1,2-diamine;dihydrochloride.

What is the SMILES notation for tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate;1-(6-methoxy-1H-indol-3-yl)ethane-1,2-diamine;dihydrochloride?

The canonical SMILES for tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate;1-(6-methoxy-1H-indol-3-yl)ethane-1,2-diamine;dihydrochloride is CC(C)(C)OC(=O)NCC(NC(=O)OC(C)(C)C)c1c[nH]c2cc(Br)ccc12.CC(C)(C)OC(=O)NCC(c1c[nH]c2ccc(Cl)cc12)N(O)C(=O)OC(C)(C)C.CC(C)(C)OC(=O)NCC(c1c[nH]c2ccccc12)N(O)C(=O)OC(C)(C)C.COc1ccc2c(C(N)CN)c[nH]c2c1.Cl.Cl.O=C(CONC(=O)OCC1c2ccccc2-c2ccccc21)NC(COCc1ccccc1)c1c[nH]c2ccccc12.

What is the InChIKey of tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate;1-(6-methoxy-1H-indol-3-yl)ethane-1,2-diamine;dihydrochloride?

The InChIKey is FAGRMOFYAVLTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31N3O5.C20H28BrN3O4.C20H28ClN3O5.C20H29N3O5.C11H15N3O.2ClH/c38-33(22-42-37-34(39)41-20-30-26-14-6-4-12-24(26)25-13-5-7-15-27(25)30)36-32(21-40-19-23-10-2-1-3-11-23)29-18-35-31-17-9-8-16-28(29)31;1-19(2,3)27-17(25)23-11-16(24-18(26)28-20(4,5)6)14-10-22-15-9-12(21)7-8-13(14)15;1-19(2,3)28-17(25)23-11-16(24(27)18(26)29-20(4,5)6)14-10-22-15-8-7-12(21)9-13(14)15;1-19(2,3)27-17(24)22-12-16(23(26)18(25)28-20(4,5)6)14-11-21-15-10-8-7-9-13(14)15;1-15-7-2-3-8-9(10(13)5-12)6-14-11(8)4-7;;/h1-18,30,32,35H,19-22H2,(H,36,38)(H,37,39);7-10,16,22H,11H2,1-6H3,(H,23,25)(H,24,26);7-10,16,22,27H,11H2,1-6H3,(H,23,25);7-11,16,21,26H,12H2,1-6H3,(H,22,24);2-4,6,10,14H,5,12-13H2,1H3;2*1H.

What are the key properties of tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate;1-(6-methoxy-1H-indol-3-yl)ethane-1,2-diamine;dihydrochloride?

tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate;1-(6-methoxy-1H-indol-3-yl)ethane-1,2-diamine;dihydrochloride has a molecular weight of 2111.57 g/mol, XLogP of 22.39, 26 rotatable bonds, 15 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;9H-fluoren-9-ylmethyl N-[2-[[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]amino]-2-oxoethoxy]carbamate;1-(6-methoxy-1H-indol-3-yl)ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 159914113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).