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2-(6-bromo-1H-indol-3-yl)-N-[3-[6-[3-[[2-(6-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]propylamino]hexylamino]propyl]-2-oxoacetamide

C32H38Br2N6O4 — CID 155551644

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(6-bromo-1H-indol-3-yl)-N-[3-[6-[3-[[2-(6-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]propylamino]hexylamino]propyl]-2-oxoacetamide
SMILESO=C(NCCCNCCCCCCNCCCNC(=O)C(=O)c1c[nH]c2cc(Br)ccc12)C(=O)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C32H38Br2N6O4/c33-21-7-9-23-25(19-39-27(23)17-21)29(41)31(43)37-15-5-13-35-11-3-1-2-4-12-36-14-6-16-38-32(44)30(42)26-20-40-28-18-22(34)8-10-24(26)28/h7-10,17-20,35-36,39-40H,1-6,11-16H2,(H,37,43)(H,38,44)
InChIKeyJHIWLFJTTMHDJR-UHFFFAOYSA-N
MW730.50 g/mol
LogP4.99
Rot. Bonds19

About 2-(6-bromo-1H-indol-3-yl)-N-[3-[6-[3-[[2-(6-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]propylamino]hexylamino]propyl]-2-oxoacetamide

2-(6-bromo-1H-indol-3-yl)-N-[3-[6-[3-[[2-(6-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]propylamino]hexylamino]propyl]-2-oxoacetamide (PubChem CID 155551644) has the molecular formula C32H38Br2N6O4 and a molecular weight of 730.50 g/mol. Its IUPAC name is 2-(6-bromo-1H-indol-3-yl)-N-[3-[6-[3-[[2-(6-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]propylamino]hexylamino]propyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(6-bromo-1H-indol-3-yl)-N-[3-[6-[3-[[2-(6-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]propylamino]hexylamino]propyl]-2-oxoacetamide
PubChem CID155551644
Molecular FormulaC32H38Br2N6O4
Molecular Weight730.50 g/mol
Exact Mass728.13
IUPAC Name2-(6-bromo-1H-indol-3-yl)-N-[3-[6-[3-[[2-(6-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]propylamino]hexylamino]propyl]-2-oxoacetamide
SMILESO=C(NCCCNCCCCCCNCCCNC(=O)C(=O)c1c[nH]c2cc(Br)ccc12)C(=O)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C32H38Br2N6O4/c33-21-7-9-23-25(19-39-27(23)17-21)29(41)31(43)37-15-5-13-35-11-3-1-2-4-12-36-14-6-16-38-32(44)30(42)26-20-40-28-18-22(34)8-10-24(26)28/h7-10,17-20,35-36,39-40H,1-6,11-16H2,(H,37,43)(H,38,44)
InChIKeyJHIWLFJTTMHDJR-UHFFFAOYSA-N
XLogP4.99
TPSA147.98 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.50
LogP ≤ 54.99
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-1H-indol-3-yl)-N-[3-[6-[3-[[2-(6-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]propylamino]hexylamino]propyl]-2-oxoacetamide?
The IUPAC name of 2-(6-bromo-1H-indol-3-yl)-N-[3-[6-[3-[[2-(6-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]propylamino]hexylamino]propyl]-2-oxoacetamide (CID 155551644) is 2-(6-bromo-1H-indol-3-yl)-N-[3-[6-[3-[[2-(6-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]propylamino]hexylamino]propyl]-2-oxoacetamide.
What is the SMILES notation for 2-(6-bromo-1H-indol-3-yl)-N-[3-[6-[3-[[2-(6-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]propylamino]hexylamino]propyl]-2-oxoacetamide?
The canonical SMILES for 2-(6-bromo-1H-indol-3-yl)-N-[3-[6-[3-[[2-(6-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]propylamino]hexylamino]propyl]-2-oxoacetamide is O=C(NCCCNCCCCCCNCCCNC(=O)C(=O)c1c[nH]c2cc(Br)ccc12)C(=O)c1c[nH]c2cc(Br)ccc12.
What is the InChIKey of 2-(6-bromo-1H-indol-3-yl)-N-[3-[6-[3-[[2-(6-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]propylamino]hexylamino]propyl]-2-oxoacetamide?
The InChIKey is JHIWLFJTTMHDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38Br2N6O4/c33-21-7-9-23-25(19-39-27(23)17-21)29(41)31(43)37-15-5-13-35-11-3-1-2-4-12-36-14-6-16-38-32(44)30(42)26-20-40-28-18-22(34)8-10-24(26)28/h7-10,17-20,35-36,39-40H,1-6,11-16H2,(H,37,43)(H,38,44).
What are the key properties of 2-(6-bromo-1H-indol-3-yl)-N-[3-[6-[3-[[2-(6-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]propylamino]hexylamino]propyl]-2-oxoacetamide?
2-(6-bromo-1H-indol-3-yl)-N-[3-[6-[3-[[2-(6-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]propylamino]hexylamino]propyl]-2-oxoacetamide has a molecular weight of 730.50 g/mol, XLogP of 4.99, 19 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-1H-indol-3-yl)-N-[3-[6-[3-[[2-(6-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]propylamino]hexylamino]propyl]-2-oxoacetamide is sourced from PubChem (CID 155551644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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