2-(7-bromo-4-hydroxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide;1-(7-bromo-4-methoxy-1-methylindol-3-yl)-2-(dimethylamino)ethanol;2-(7-bromo-4-methoxy-1-methylindol-3-yl)-N,N-dimethylethanamine;2-(7-bromo-4-methoxy-1-methylindol-3-yl)-N,N-dimethyl-2-oxoacetamide;N,N-dimethyl-2-oxo-2-(4-phenylmethoxy-1H-indol-3-yl)acetamide;2-(4-methoxy-1,7-dimethylindol-3-yl)-N,N-dimethylethanamine

C88H104Br4N12O13 — CID 162103438

About 2-(7-bromo-4-hydroxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide;1-(7-bromo-4-methoxy-1-methylindol-3-yl)-2-(dimethylamino)ethanol;2-(7-bromo-4-methoxy-1-methylindol-3-yl)-N,N-dimethylethanamine;2-(7-bromo-4-methoxy-1-methylindol-3-yl)-N,N-dimethyl-2-oxoacetamide;N,N-dimethyl-2-oxo-2-(4-phenylmethoxy-1H-indol-3-yl)acetamide;2-(4-methoxy-1,7-dimethylindol-3-yl)-N,N-dimethylethanamine

2-(7-bromo-4-hydroxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide;1-(7-bromo-4-methoxy-1-methylindol-3-yl)-2-(dimethylamino)ethanol;2-(7-bromo-4-methoxy-1-methylindol-3-yl)-N,N-dimethylethanamine;2-(7-bromo-4-methoxy-1-methylindol-3-yl)-N,N-dimethyl-2-oxoacetamide;N,N-dimethyl-2-oxo-2-(4-phenylmethoxy-1H-indol-3-yl)acetamide;2-(4-methoxy-1,7-dimethylindol-3-yl)-N,N-dimethylethanamine (PubChem CID 162103438) has the molecular formula C88H104Br4N12O13 and a molecular weight of 1857.49 g/mol. Its IUPAC name is 2-(7-bromo-4-hydroxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide;1-(7-bromo-4-methoxy-1-methylindol-3-yl)-2-(dimethylamino)ethanol;2-(7-bromo-4-methoxy-1-methylindol-3-yl)-N,N-dimethylethanamine;2-(7-bromo-4-methoxy-1-methylindol-3-yl)-N,N-dimethyl-2-oxoacetamide;N,N-dimethyl-2-oxo-2-(4-phenylmethoxy-1H-indol-3-yl)acetamide;2-(4-methoxy-1,7-dimethylindol-3-yl)-N,N-dimethylethanamine.

Molecular Properties

• Compound Name: 2-(7-bromo-4-hydroxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide;1-(7-bromo-4-methoxy-1-methylindol-3-yl)-2-(dimethylamino)ethanol;2-(7-bromo-4-methoxy-1-methylindol-3-yl)-N,N-dimethylethanamine;2-(7-bromo-4-methoxy-1-methylindol-3-yl)-N,N-dimethyl-2-oxoacetamide;N,N-dimethyl-2-oxo-2-(4-phenylmethoxy-1H-indol-3-yl)acetamide;2-(4-methoxy-1,7-dimethylindol-3-yl)-N,N-dimethylethanamine
• PubChem CID: 162103438
• Molecular Formula: C88H104Br4N12O13
• Molecular Weight: 1857.49 g/mol
• Exact Mass: 1852.46
• IUPAC Name: 2-(7-bromo-4-hydroxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide;1-(7-bromo-4-methoxy-1-methylindol-3-yl)-2-(dimethylamino)ethanol;2-(7-bromo-4-methoxy-1-methylindol-3-yl)-N,N-dimethylethanamine;2-(7-bromo-4-methoxy-1-methylindol-3-yl)-N,N-dimethyl-2-oxoacetamide;N,N-dimethyl-2-oxo-2-(4-phenylmethoxy-1H-indol-3-yl)acetamide;2-(4-methoxy-1,7-dimethylindol-3-yl)-N,N-dimethylethanamine
• SMILES: CN(C)C(=O)C(=O)c1c[nH]c2c(Br)ccc(O)c12.CN(C)C(=O)C(=O)c1c[nH]c2cccc(OCc3ccccc3)c12.COc1ccc(Br)c2c1c(C(=O)C(=O)N(C)C)cn2C.COc1ccc(Br)c2c1c(C(O)CN(C)C)cn2C.COc1ccc(Br)c2c1c(CCN(C)C)cn2C.COc1ccc(C)c2c1c(CCN(C)C)cn2C
• InChI: InChI=1S/C19H18N2O3.C15H22N2O.C14H15BrN2O3.C14H19BrN2O2.C14H19BrN2O.C12H11BrN2O3/c1-21(2)19(23)18(22)14-11-20-15-9-6-10-16(17(14)15)24-12-13-7-4-3-5-8-13;1-11-6-7-13(18-5)14-12(8-9-16(2)3)10-17(4)15(11)14;1-16(2)14(19)13(18)8-7-17(3)12-9(15)5-6-10(20-4)11(8)12;1-16(2)8-11(18)9-7-17(3)14-10(15)5-6-12(19-4)13(9)14;1-16(2)8-7-10-9-17(3)14-11(15)5-6-12(18-4)13(10)14;1-15(2)12(18)11(17)6-5-14-10-7(13)3-4-8(16)9(6)10/h3-11,20H,12H2,1-2H3;6-7,10H,8-9H2,1-5H3;5-7H,1-4H3;5-7,11,18H,8H2,1-4H3;5-6,9H,7-8H2,1-4H3;3-5,14,16H,1-2H3
• InChIKey: ZFEOWUOCHYCKLU-UHFFFAOYSA-N
• XLogP: 15.34
• TPSA: 259.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 22
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1857.49
LogP ≤ 5	15.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-4-hydroxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide;1-(7-bromo-4-methoxy-1-methylindol-3-yl)-2-(dimethylamino)ethanol;2-(7-bromo-4-methoxy-1-methylindol-3-yl)-N,N-dimethylethanamine;2-(7-bromo-4-methoxy-1-methylindol-3-yl)-N,N-dimethyl-2-oxoacetamide;N,N-dimethyl-2-oxo-2-(4-phenylmethoxy-1H-indol-3-yl)acetamide;2-(4-methoxy-1,7-dimethylindol-3-yl)-N,N-dimethylethanamine?

The IUPAC name of 2-(7-bromo-4-hydroxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide;1-(7-bromo-4-methoxy-1-methylindol-3-yl)-2-(dimethylamino)ethanol;2-(7-bromo-4-methoxy-1-methylindol-3-yl)-N,N-dimethylethanamine;2-(7-bromo-4-methoxy-1-methylindol-3-yl)-N,N-dimethyl-2-oxoacetamide;N,N-dimethyl-2-oxo-2-(4-phenylmethoxy-1H-indol-3-yl)acetamide;2-(4-methoxy-1,7-dimethylindol-3-yl)-N,N-dimethylethanamine (CID 162103438) is 2-(7-bromo-4-hydroxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide;1-(7-bromo-4-methoxy-1-methylindol-3-yl)-2-(dimethylamino)ethanol;2-(7-bromo-4-methoxy-1-methylindol-3-yl)-N,N-dimethylethanamine;2-(7-bromo-4-methoxy-1-methylindol-3-yl)-N,N-dimethyl-2-oxoacetamide;N,N-dimethyl-2-oxo-2-(4-phenylmethoxy-1H-indol-3-yl)acetamide;2-(4-methoxy-1,7-dimethylindol-3-yl)-N,N-dimethylethanamine.

What is the SMILES notation for 2-(7-bromo-4-hydroxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide;1-(7-bromo-4-methoxy-1-methylindol-3-yl)-2-(dimethylamino)ethanol;2-(7-bromo-4-methoxy-1-methylindol-3-yl)-N,N-dimethylethanamine;2-(7-bromo-4-methoxy-1-methylindol-3-yl)-N,N-dimethyl-2-oxoacetamide;N,N-dimethyl-2-oxo-2-(4-phenylmethoxy-1H-indol-3-yl)acetamide;2-(4-methoxy-1,7-dimethylindol-3-yl)-N,N-dimethylethanamine?

The canonical SMILES for 2-(7-bromo-4-hydroxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide;1-(7-bromo-4-methoxy-1-methylindol-3-yl)-2-(dimethylamino)ethanol;2-(7-bromo-4-methoxy-1-methylindol-3-yl)-N,N-dimethylethanamine;2-(7-bromo-4-methoxy-1-methylindol-3-yl)-N,N-dimethyl-2-oxoacetamide;N,N-dimethyl-2-oxo-2-(4-phenylmethoxy-1H-indol-3-yl)acetamide;2-(4-methoxy-1,7-dimethylindol-3-yl)-N,N-dimethylethanamine is CN(C)C(=O)C(=O)c1c[nH]c2c(Br)ccc(O)c12.CN(C)C(=O)C(=O)c1c[nH]c2cccc(OCc3ccccc3)c12.COc1ccc(Br)c2c1c(C(=O)C(=O)N(C)C)cn2C.COc1ccc(Br)c2c1c(C(O)CN(C)C)cn2C.COc1ccc(Br)c2c1c(CCN(C)C)cn2C.COc1ccc(C)c2c1c(CCN(C)C)cn2C.

What is the InChIKey of 2-(7-bromo-4-hydroxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide;1-(7-bromo-4-methoxy-1-methylindol-3-yl)-2-(dimethylamino)ethanol;2-(7-bromo-4-methoxy-1-methylindol-3-yl)-N,N-dimethylethanamine;2-(7-bromo-4-methoxy-1-methylindol-3-yl)-N,N-dimethyl-2-oxoacetamide;N,N-dimethyl-2-oxo-2-(4-phenylmethoxy-1H-indol-3-yl)acetamide;2-(4-methoxy-1,7-dimethylindol-3-yl)-N,N-dimethylethanamine?

The InChIKey is ZFEOWUOCHYCKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3.C15H22N2O.C14H15BrN2O3.C14H19BrN2O2.C14H19BrN2O.C12H11BrN2O3/c1-21(2)19(23)18(22)14-11-20-15-9-6-10-16(17(14)15)24-12-13-7-4-3-5-8-13;1-11-6-7-13(18-5)14-12(8-9-16(2)3)10-17(4)15(11)14;1-16(2)14(19)13(18)8-7-17(3)12-9(15)5-6-10(20-4)11(8)12;1-16(2)8-11(18)9-7-17(3)14-10(15)5-6-12(19-4)13(9)14;1-16(2)8-7-10-9-17(3)14-11(15)5-6-12(18-4)13(10)14;1-15(2)12(18)11(17)6-5-14-10-7(13)3-4-8(16)9(6)10/h3-11,20H,12H2,1-2H3;6-7,10H,8-9H2,1-5H3;5-7H,1-4H3;5-7,11,18H,8H2,1-4H3;5-6,9H,7-8H2,1-4H3;3-5,14,16H,1-2H3.

What are the key properties of 2-(7-bromo-4-hydroxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide;1-(7-bromo-4-methoxy-1-methylindol-3-yl)-2-(dimethylamino)ethanol;2-(7-bromo-4-methoxy-1-methylindol-3-yl)-N,N-dimethylethanamine;2-(7-bromo-4-methoxy-1-methylindol-3-yl)-N,N-dimethyl-2-oxoacetamide;N,N-dimethyl-2-oxo-2-(4-phenylmethoxy-1H-indol-3-yl)acetamide;2-(4-methoxy-1,7-dimethylindol-3-yl)-N,N-dimethylethanamine?

2-(7-bromo-4-hydroxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide;1-(7-bromo-4-methoxy-1-methylindol-3-yl)-2-(dimethylamino)ethanol;2-(7-bromo-4-methoxy-1-methylindol-3-yl)-N,N-dimethylethanamine;2-(7-bromo-4-methoxy-1-methylindol-3-yl)-N,N-dimethyl-2-oxoacetamide;N,N-dimethyl-2-oxo-2-(4-phenylmethoxy-1H-indol-3-yl)acetamide;2-(4-methoxy-1,7-dimethylindol-3-yl)-N,N-dimethylethanamine has a molecular weight of 1857.49 g/mol, XLogP of 15.34, 22 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7-bromo-4-hydroxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide;1-(7-bromo-4-methoxy-1-methylindol-3-yl)-2-(dimethylamino)ethanol;2-(7-bromo-4-methoxy-1-methylindol-3-yl)-N,N-dimethylethanamine;2-(7-bromo-4-methoxy-1-methylindol-3-yl)-N,N-dimethyl-2-oxoacetamide;N,N-dimethyl-2-oxo-2-(4-phenylmethoxy-1H-indol-3-yl)acetamide;2-(4-methoxy-1,7-dimethylindol-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 162103438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).