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

C49H51Br2ClN8O6 — CID 158962690

IUPACtert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-[(6-methyl-1H-indole-3-carbonyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2cc(Br)ccc12)c1c[nH]c2ccc(Br)cc12.Cc1ccc2c(C(=O)NC(CNC(=O)OC(C)(C)C)c3c[nH]c4ccc(Cl)cc34)c[nH]c2c1
InChIInChI=1S/C25H27ClN4O3.C24H24Br2N4O3/c1-14-5-7-16-19(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)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/h5-12,22,27-28H,13H2,1-4H3,(H,29,32)(H,30,31);4-11,21,27-28H,12H2,1-3H3,(H,29,32)(H,30,31)
InChIKeyJMUXQVCHJPTXGY-UHFFFAOYSA-N
MW1043.26 g/mol
LogP11.78
Rot. Bonds10

About tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)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-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-[(6-methyl-1H-indole-3-carbonyl)amino]ethyl]carbamate (PubChem CID 158962690) has the molecular formula C49H51Br2ClN8O6 and a molecular weight of 1043.26 g/mol. Its IUPAC name is tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-[(6-methyl-1H-indole-3-carbonyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-[(6-methyl-1H-indole-3-carbonyl)amino]ethyl]carbamate
PubChem CID158962690
Molecular FormulaC49H51Br2ClN8O6
Molecular Weight1043.26 g/mol
Exact Mass1040.20
IUPAC Nametert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-[(6-methyl-1H-indole-3-carbonyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2cc(Br)ccc12)c1c[nH]c2ccc(Br)cc12.Cc1ccc2c(C(=O)NC(CNC(=O)OC(C)(C)C)c3c[nH]c4ccc(Cl)cc34)c[nH]c2c1
InChIInChI=1S/C25H27ClN4O3.C24H24Br2N4O3/c1-14-5-7-16-19(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)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/h5-12,22,27-28H,13H2,1-4H3,(H,29,32)(H,30,31);4-11,21,27-28H,12H2,1-3H3,(H,29,32)(H,30,31)
InChIKeyJMUXQVCHJPTXGY-UHFFFAOYSA-N
XLogP11.78
TPSA198.02 Ų
H-Bond Donors8
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001043.26
LogP ≤ 511.78
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 106

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

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Related Compounds

tert-butyl N-[2-benzamido-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[[2-(4-bromophenyl)acetyl]amino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(pyridine-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate
CID 158851409
tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate
CID 71231508
tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate
CID 71231515
tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-[(6-methyl-1H-indole-3-carbonyl)amino]ethyl]carbamate
CID 117647599
tert-butyl N-[2-[[6-bromo-2-(5-chloro-1H-indol-2-yl)-1H-indole-3-carbonyl]amino]ethyl]-N-ethylcarbamate
CID 129127324
tert-butyl N-[2-[[6-bromo-2-(5-chloro-1H-indol-2-yl)-1H-indole-3-carbonyl]amino]ethyl]-N-methylcarbamate
CID 129127641
tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-[(6-methyl-1H-indole-3-carbonyl)amino]ethyl]carbamate
CID 129212081
tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(6-methyl-1H-indole-3-carbonyl)amino]ethyl]carbamate
CID 129212082
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 157076796
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
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
tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(5-bromo-1-methylindole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(1H-indole-3-carbonylamino)-2-(1H-indol-3-yl)ethyl]carbamate
CID 157341680

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-[(6-methyl-1H-indole-3-carbonyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-[(6-methyl-1H-indole-3-carbonyl)amino]ethyl]carbamate (CID 158962690) is tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-[(6-methyl-1H-indole-3-carbonyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-[(6-methyl-1H-indole-3-carbonyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-[(6-methyl-1H-indole-3-carbonyl)amino]ethyl]carbamate is CC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2cc(Br)ccc12)c1c[nH]c2ccc(Br)cc12.Cc1ccc2c(C(=O)NC(CNC(=O)OC(C)(C)C)c3c[nH]c4ccc(Cl)cc34)c[nH]c2c1.
What is the InChIKey of tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-[(6-methyl-1H-indole-3-carbonyl)amino]ethyl]carbamate?
The InChIKey is JMUXQVCHJPTXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O3.C24H24Br2N4O3/c1-14-5-7-16-19(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)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/h5-12,22,27-28H,13H2,1-4H3,(H,29,32)(H,30,31);4-11,21,27-28H,12H2,1-3H3,(H,29,32)(H,30,31).
What are the key properties of tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)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-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-[(6-methyl-1H-indole-3-carbonyl)amino]ethyl]carbamate has a molecular weight of 1043.26 g/mol, XLogP of 11.78, 10 rotatable bonds, 8 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-[(6-methyl-1H-indole-3-carbonyl)amino]ethyl]carbamate is sourced from PubChem (CID 158962690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).