bis(2-(1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide);2-(1H-indol-3-yl)-2-oxoacetic acid;2-(1H-indol-3-yl)-2-oxoacetyl chloride;3-(1H-indol-3-yl)-N,N,2,3-tetramethylbutan-2-amine

C60H61ClN8O9 — CID 157296526

About bis(2-(1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide);2-(1H-indol-3-yl)-2-oxoacetic acid;2-(1H-indol-3-yl)-2-oxoacetyl chloride;3-(1H-indol-3-yl)-N,N,2,3-tetramethylbutan-2-amine

bis(2-(1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide);2-(1H-indol-3-yl)-2-oxoacetic acid;2-(1H-indol-3-yl)-2-oxoacetyl chloride;3-(1H-indol-3-yl)-N,N,2,3-tetramethylbutan-2-amine (PubChem CID 157296526) has the molecular formula C60H61ClN8O9 and a molecular weight of 1073.65 g/mol. Its IUPAC name is bis(2-(1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide);2-(1H-indol-3-yl)-2-oxoacetic acid;2-(1H-indol-3-yl)-2-oxoacetyl chloride;3-(1H-indol-3-yl)-N,N,2,3-tetramethylbutan-2-amine.

Molecular Properties

• Compound Name: bis(2-(1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide);2-(1H-indol-3-yl)-2-oxoacetic acid;2-(1H-indol-3-yl)-2-oxoacetyl chloride;3-(1H-indol-3-yl)-N,N,2,3-tetramethylbutan-2-amine
• PubChem CID: 157296526
• Molecular Formula: C60H61ClN8O9
• Molecular Weight: 1073.65 g/mol
• Exact Mass: 1072.43
• IUPAC Name: bis(2-(1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide);2-(1H-indol-3-yl)-2-oxoacetic acid;2-(1H-indol-3-yl)-2-oxoacetyl chloride;3-(1H-indol-3-yl)-N,N,2,3-tetramethylbutan-2-amine
• SMILES: CN(C)C(=O)C(=O)c1c[nH]c2ccccc12.CN(C)C(=O)C(=O)c1c[nH]c2ccccc12.CN(C)C(C)(C)C(C)(C)c1c[nH]c2ccccc12.O=C(Cl)C(=O)c1c[nH]c2ccccc12.O=C(O)C(=O)c1c[nH]c2ccccc12
• InChI: InChI=1S/C16H24N2.2C12H12N2O2.C10H6ClNO2.C10H7NO3/c1-15(2,16(3,4)18(5)6)13-11-17-14-10-8-7-9-12(13)14;2*1-14(2)12(16)11(15)9-7-13-10-6-4-3-5-8(9)10;11-10(14)9(13)7-5-12-8-4-2-1-3-6(7)8;12-9(10(13)14)7-5-11-8-4-2-1-3-6(7)8/h7-11,17H,1-6H3;2*3-7,13H,1-2H3;1-5,12H;1-5,11H,(H,13,14)
• InChIKey: BBKIJLMXEDZZMY-UHFFFAOYSA-N
• XLogP: 10.21
• TPSA: 245.46 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1073.65
LogP ≤ 5	10.21
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2-(1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide);2-(1H-indol-3-yl)-2-oxoacetic acid;2-(1H-indol-3-yl)-2-oxoacetyl chloride;3-(1H-indol-3-yl)-N,N,2,3-tetramethylbutan-2-amine?

The IUPAC name of bis(2-(1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide);2-(1H-indol-3-yl)-2-oxoacetic acid;2-(1H-indol-3-yl)-2-oxoacetyl chloride;3-(1H-indol-3-yl)-N,N,2,3-tetramethylbutan-2-amine (CID 157296526) is bis(2-(1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide);2-(1H-indol-3-yl)-2-oxoacetic acid;2-(1H-indol-3-yl)-2-oxoacetyl chloride;3-(1H-indol-3-yl)-N,N,2,3-tetramethylbutan-2-amine.

What is the SMILES notation for bis(2-(1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide);2-(1H-indol-3-yl)-2-oxoacetic acid;2-(1H-indol-3-yl)-2-oxoacetyl chloride;3-(1H-indol-3-yl)-N,N,2,3-tetramethylbutan-2-amine?

The canonical SMILES for bis(2-(1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide);2-(1H-indol-3-yl)-2-oxoacetic acid;2-(1H-indol-3-yl)-2-oxoacetyl chloride;3-(1H-indol-3-yl)-N,N,2,3-tetramethylbutan-2-amine is CN(C)C(=O)C(=O)c1c[nH]c2ccccc12.CN(C)C(=O)C(=O)c1c[nH]c2ccccc12.CN(C)C(C)(C)C(C)(C)c1c[nH]c2ccccc12.O=C(Cl)C(=O)c1c[nH]c2ccccc12.O=C(O)C(=O)c1c[nH]c2ccccc12.

What is the InChIKey of bis(2-(1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide);2-(1H-indol-3-yl)-2-oxoacetic acid;2-(1H-indol-3-yl)-2-oxoacetyl chloride;3-(1H-indol-3-yl)-N,N,2,3-tetramethylbutan-2-amine?

The InChIKey is BBKIJLMXEDZZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2.2C12H12N2O2.C10H6ClNO2.C10H7NO3/c1-15(2,16(3,4)18(5)6)13-11-17-14-10-8-7-9-12(13)14;2*1-14(2)12(16)11(15)9-7-13-10-6-4-3-5-8(9)10;11-10(14)9(13)7-5-12-8-4-2-1-3-6(7)8;12-9(10(13)14)7-5-11-8-4-2-1-3-6(7)8/h7-11,17H,1-6H3;2*3-7,13H,1-2H3;1-5,12H;1-5,11H,(H,13,14).

What are the key properties of bis(2-(1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide);2-(1H-indol-3-yl)-2-oxoacetic acid;2-(1H-indol-3-yl)-2-oxoacetyl chloride;3-(1H-indol-3-yl)-N,N,2,3-tetramethylbutan-2-amine?

bis(2-(1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide);2-(1H-indol-3-yl)-2-oxoacetic acid;2-(1H-indol-3-yl)-2-oxoacetyl chloride;3-(1H-indol-3-yl)-N,N,2,3-tetramethylbutan-2-amine has a molecular weight of 1073.65 g/mol, XLogP of 10.21, 11 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide);2-(1H-indol-3-yl)-2-oxoacetic acid;2-(1H-indol-3-yl)-2-oxoacetyl chloride;3-(1H-indol-3-yl)-N,N,2,3-tetramethylbutan-2-amine is sourced from PubChem (CID 157296526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).