N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carboxamide;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate

C119H121Br8N21O14 — CID 157333815

About N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carboxamide;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate

N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carboxamide;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate (PubChem CID 157333815) has the molecular formula C119H121Br8N21O14 and a molecular weight of 2708.64 g/mol. Its IUPAC name is N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carboxamide;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate.

Molecular Properties

• Compound Name: N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carboxamide;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate
• PubChem CID: 157333815
• Molecular Formula: C119H121Br8N21O14
• Molecular Weight: 2708.64 g/mol
• Exact Mass: 2699.29
• IUPAC Name: N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carboxamide;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate
• SMILES: CC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2cc(Br)ccc12)c1c[nH]c2cc(Br)ccc12.CC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2cc(Br)ccc12)c1c[nH]c2ccc(Br)cc12.CC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2cc(Br)ccc12)c1c[nH]c2ccccc12.CC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2ccccc12)c1c[nH]c2cc(Br)ccc12.NCCCCNC(=O)C(NC(=O)c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
• InChI: InChI=1S/2C24H24Br2N4O3.2C24H25BrN4O3.C23H23Br2N5O2/c1-24(2,3)33-23(32)29-12-21(17-10-27-19-7-5-13(25)8-16(17)19)30-22(31)18-11-28-20-9-14(26)4-6-15(18)20;1-24(2,3)33-23(32)29-12-21(17-10-27-19-8-13(25)4-6-15(17)19)30-22(31)18-11-28-20-9-14(26)5-7-16(18)20;1-24(2,3)32-23(31)28-13-21(17-11-27-20-10-14(25)8-9-16(17)20)29-22(30)18-12-26-19-7-5-4-6-15(18)19;1-24(2,3)32-23(31)28-13-21(17-11-26-19-7-5-4-6-15(17)19)29-22(30)18-12-27-20-10-14(25)8-9-16(18)20;24-13-3-5-19-15(9-13)17(11-28-19)21(23(32)27-8-2-1-7-26)30-22(31)18-12-29-20-6-4-14(25)10-16(18)20/h2*4-11,21,27-28H,12H2,1-3H3,(H,29,32)(H,30,31);2*4-12,21,26-27H,13H2,1-3H3,(H,28,31)(H,29,30);3-6,9-12,21,28-29H,1-2,7-8,26H2,(H,27,32)(H,30,31)
• InChIKey: BFPFWGMSDZEXSK-UHFFFAOYSA-N
• XLogP: 27.66
• TPSA: 511.84 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 15
• Rotatable Bonds: 28
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2708.64
LogP ≤ 5	27.66
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carboxamide;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate?

The IUPAC name of N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carboxamide;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate (CID 157333815) is N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carboxamide;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate.

What is the SMILES notation for N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carboxamide;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate?

The canonical SMILES for N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carboxamide;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate is CC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2cc(Br)ccc12)c1c[nH]c2cc(Br)ccc12.CC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2cc(Br)ccc12)c1c[nH]c2ccc(Br)cc12.CC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2cc(Br)ccc12)c1c[nH]c2ccccc12.CC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2ccccc12)c1c[nH]c2cc(Br)ccc12.NCCCCNC(=O)C(NC(=O)c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12.

What is the InChIKey of N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carboxamide;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate?

The InChIKey is BFPFWGMSDZEXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H24Br2N4O3.2C24H25BrN4O3.C23H23Br2N5O2/c1-24(2,3)33-23(32)29-12-21(17-10-27-19-7-5-13(25)8-16(17)19)30-22(31)18-11-28-20-9-14(26)4-6-15(18)20;1-24(2,3)33-23(32)29-12-21(17-10-27-19-8-13(25)4-6-15(17)19)30-22(31)18-11-28-20-9-14(26)5-7-16(18)20;1-24(2,3)32-23(31)28-13-21(17-11-27-20-10-14(25)8-9-16(17)20)29-22(30)18-12-26-19-7-5-4-6-15(18)19;1-24(2,3)32-23(31)28-13-21(17-11-26-19-7-5-4-6-15(17)19)29-22(30)18-12-27-20-10-14(25)8-9-16(18)20;24-13-3-5-19-15(9-13)17(11-28-19)21(23(32)27-8-2-1-7-26)30-22(31)18-12-29-20-6-4-14(25)10-16(18)20/h2*4-11,21,27-28H,12H2,1-3H3,(H,29,32)(H,30,31);2*4-12,21,26-27H,13H2,1-3H3,(H,28,31)(H,29,30);3-6,9-12,21,28-29H,1-2,7-8,26H2,(H,27,32)(H,30,31).

What are the key properties of N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carboxamide;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate?

N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carboxamide;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate has a molecular weight of 2708.64 g/mol, XLogP of 27.66, 28 rotatable bonds, 21 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-bromo-1H-indole-3-carboxamide;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate is sourced from PubChem (CID 157333815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).