tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(5-bromo-1-methylindole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-[(6-methyl-1H-indole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(1H-indole-3-carbonylamino)-2-(1H-indol-3-yl)ethyl]carbamate;methane

C75H83Br2ClN12O9 — CID 157145480

About tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(5-bromo-1-methylindole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-[(6-methyl-1H-indole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(1H-indole-3-carbonylamino)-2-(1H-indol-3-yl)ethyl]carbamate;methane

tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(5-bromo-1-methylindole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-[(6-methyl-1H-indole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(1H-indole-3-carbonylamino)-2-(1H-indol-3-yl)ethyl]carbamate;methane (PubChem CID 157145480) has the molecular formula C75H83Br2ClN12O9 and a molecular weight of 1491.82 g/mol. Its IUPAC name is tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(5-bromo-1-methylindole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-[(6-methyl-1H-indole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(1H-indole-3-carbonylamino)-2-(1H-indol-3-yl)ethyl]carbamate;methane.

Molecular Properties

• Compound Name: tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(5-bromo-1-methylindole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-[(6-methyl-1H-indole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(1H-indole-3-carbonylamino)-2-(1H-indol-3-yl)ethyl]carbamate;methane
• PubChem CID: 157145480
• Molecular Formula: C75H83Br2ClN12O9
• Molecular Weight: 1491.82 g/mol
• Exact Mass: 1488.45
• IUPAC Name: tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(5-bromo-1-methylindole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-[(6-methyl-1H-indole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(1H-indole-3-carbonylamino)-2-(1H-indol-3-yl)ethyl]carbamate;methane
• SMILES: C.CC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12.Cc1ccc2c(C(=O)NC(CNC(=O)OC(C)(C)C)c3c[nH]c4ccc(Cl)cc34)c[nH]c2c1.Cn1cc(C(=O)NC(CNC(=O)OC(C)(C)C)c2c[nH]c3ccc(Br)cc23)c2cc(Br)ccc21
• InChI: InChI=1S/C25H26Br2N4O3.C25H27ClN4O3.C24H26N4O3.CH4/c1-25(2,3)34-24(33)29-12-21(18-11-28-20-7-5-14(26)9-16(18)20)30-23(32)19-13-31(4)22-8-6-15(27)10-17(19)22;1-14-5-7-16-19(12-28-21(16)9-14)23(31)30-22(13-29-24(32)33-25(2,3)4)18-11-27-20-8-6-15(26)10-17(18)20;1-24(2,3)31-23(30)27-14-21(17-12-25-19-10-6-4-8-15(17)19)28-22(29)18-13-26-20-11-7-5-9-16(18)20;/h5-11,13,21,28H,12H2,1-4H3,(H,29,33)(H,30,32);5-12,22,27-28H,13H2,1-4H3,(H,29,32)(H,30,31);4-13,21,25-26H,14H2,1-3H3,(H,27,30)(H,28,29);1H4
• InChIKey: AKQODYIYQDYVFT-UHFFFAOYSA-N
• XLogP: 17.07
• TPSA: 286.17 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1491.82
LogP ≤ 5	17.07
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(5-bromo-1-methylindole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-[(6-methyl-1H-indole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(1H-indole-3-carbonylamino)-2-(1H-indol-3-yl)ethyl]carbamate;methane?

The IUPAC name of tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(5-bromo-1-methylindole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-[(6-methyl-1H-indole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(1H-indole-3-carbonylamino)-2-(1H-indol-3-yl)ethyl]carbamate;methane (CID 157145480) is tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(5-bromo-1-methylindole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-[(6-methyl-1H-indole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(1H-indole-3-carbonylamino)-2-(1H-indol-3-yl)ethyl]carbamate;methane.

What is the SMILES notation for tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(5-bromo-1-methylindole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-[(6-methyl-1H-indole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(1H-indole-3-carbonylamino)-2-(1H-indol-3-yl)ethyl]carbamate;methane?

The canonical SMILES for tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(5-bromo-1-methylindole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-[(6-methyl-1H-indole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(1H-indole-3-carbonylamino)-2-(1H-indol-3-yl)ethyl]carbamate;methane is C.CC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12.Cc1ccc2c(C(=O)NC(CNC(=O)OC(C)(C)C)c3c[nH]c4ccc(Cl)cc34)c[nH]c2c1.Cn1cc(C(=O)NC(CNC(=O)OC(C)(C)C)c2c[nH]c3ccc(Br)cc23)c2cc(Br)ccc21.

What is the InChIKey of tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(5-bromo-1-methylindole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-[(6-methyl-1H-indole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(1H-indole-3-carbonylamino)-2-(1H-indol-3-yl)ethyl]carbamate;methane?

The InChIKey is AKQODYIYQDYVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Br2N4O3.C25H27ClN4O3.C24H26N4O3.CH4/c1-25(2,3)34-24(33)29-12-21(18-11-28-20-7-5-14(26)9-16(18)20)30-23(32)19-13-31(4)22-8-6-15(27)10-17(19)22;1-14-5-7-16-19(12-28-21(16)9-14)23(31)30-22(13-29-24(32)33-25(2,3)4)18-11-27-20-8-6-15(26)10-17(18)20;1-24(2,3)31-23(30)27-14-21(17-12-25-19-10-6-4-8-15(17)19)28-22(29)18-13-26-20-11-7-5-9-16(18)20;/h5-11,13,21,28H,12H2,1-4H3,(H,29,33)(H,30,32);5-12,22,27-28H,13H2,1-4H3,(H,29,32)(H,30,31);4-13,21,25-26H,14H2,1-3H3,(H,27,30)(H,28,29);1H4.

What are the key properties of tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(5-bromo-1-methylindole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-[(6-methyl-1H-indole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(1H-indole-3-carbonylamino)-2-(1H-indol-3-yl)ethyl]carbamate;methane?

tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(5-bromo-1-methylindole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-[(6-methyl-1H-indole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(1H-indole-3-carbonylamino)-2-(1H-indol-3-yl)ethyl]carbamate;methane has a molecular weight of 1491.82 g/mol, XLogP of 17.07, 15 rotatable bonds, 11 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(5-bromo-1-methylindole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-[(6-methyl-1H-indole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(1H-indole-3-carbonylamino)-2-(1H-indol-3-yl)ethyl]carbamate;methane is sourced from PubChem (CID 157145480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).