1-[5-acetyl-6-[4-(dimethylamino)butanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;5-acetyl-N-[2-(dimethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-N-methyl-1H-indole-6-carboxamide;5-acetyl-2-(2,2-dimethylpropanoyl)-1H-indole-6-carboxylic acid;1-[5-[2-(5-acetyl-1H-indol-2-yl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(7-amino-1H-indol-2-yl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-(5-methoxy-1H-indol-2-yl)-2,2-dimethylpropan-1-one;methyl 5-acetyl-2-(2,2-dimethylpropanoyl)-1H-indole-6-carboxylate

C158H179N15O23 — CID 158423118

About 1-[5-acetyl-6-[4-(dimethylamino)butanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;5-acetyl-N-[2-(dimethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-N-methyl-1H-indole-6-carboxamide;5-acetyl-2-(2,2-dimethylpropanoyl)-1H-indole-6-carboxylic acid;1-[5-[2-(5-acetyl-1H-indol-2-yl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(7-amino-1H-indol-2-yl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-(5-methoxy-1H-indol-2-yl)-2,2-dimethylpropan-1-one;methyl 5-acetyl-2-(2,2-dimethylpropanoyl)-1H-indole-6-carboxylate

1-[5-acetyl-6-[4-(dimethylamino)butanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;5-acetyl-N-[2-(dimethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-N-methyl-1H-indole-6-carboxamide;5-acetyl-2-(2,2-dimethylpropanoyl)-1H-indole-6-carboxylic acid;1-[5-[2-(5-acetyl-1H-indol-2-yl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(7-amino-1H-indol-2-yl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-(5-methoxy-1H-indol-2-yl)-2,2-dimethylpropan-1-one;methyl 5-acetyl-2-(2,2-dimethylpropanoyl)-1H-indole-6-carboxylate (PubChem CID 158423118) has the molecular formula C158H179N15O23 and a molecular weight of 2656.25 g/mol. Its IUPAC name is 1-[5-acetyl-6-[4-(dimethylamino)butanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;5-acetyl-N-[2-(dimethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-N-methyl-1H-indole-6-carboxamide;5-acetyl-2-(2,2-dimethylpropanoyl)-1H-indole-6-carboxylic acid;1-[5-[2-(5-acetyl-1H-indol-2-yl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(7-amino-1H-indol-2-yl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-(5-methoxy-1H-indol-2-yl)-2,2-dimethylpropan-1-one;methyl 5-acetyl-2-(2,2-dimethylpropanoyl)-1H-indole-6-carboxylate.

Molecular Properties

• Compound Name: 1-[5-acetyl-6-[4-(dimethylamino)butanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;5-acetyl-N-[2-(dimethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-N-methyl-1H-indole-6-carboxamide;5-acetyl-2-(2,2-dimethylpropanoyl)-1H-indole-6-carboxylic acid;1-[5-[2-(5-acetyl-1H-indol-2-yl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(7-amino-1H-indol-2-yl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-(5-methoxy-1H-indol-2-yl)-2,2-dimethylpropan-1-one;methyl 5-acetyl-2-(2,2-dimethylpropanoyl)-1H-indole-6-carboxylate
• PubChem CID: 158423118
• Molecular Formula: C158H179N15O23
• Molecular Weight: 2656.25 g/mol
• Exact Mass: 2654.33
• IUPAC Name: 1-[5-acetyl-6-[4-(dimethylamino)butanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;5-acetyl-N-[2-(dimethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-N-methyl-1H-indole-6-carboxamide;5-acetyl-2-(2,2-dimethylpropanoyl)-1H-indole-6-carboxylic acid;1-[5-[2-(5-acetyl-1H-indol-2-yl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(7-amino-1H-indol-2-yl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-(5-methoxy-1H-indol-2-yl)-2,2-dimethylpropan-1-one;methyl 5-acetyl-2-(2,2-dimethylpropanoyl)-1H-indole-6-carboxylate
• SMILES: CC(=O)c1cc2cc(C(=O)C(C)(C)C)[nH]c2cc1C(=O)CCCN(C)C.CC(=O)c1cc2cc(C(=O)C(C)(C)C)[nH]c2cc1C(=O)N(C)CCN(C)C.CC(=O)c1cc2cc(C(=O)C(C)(C)C)[nH]c2cc1C(=O)O.CC(=O)c1ccc2[nH]c(C(=O)Cc3ccc4[nH]c(C(=O)C(C)(C)C)cc4c3)cc2c1.CC(C)(C)C(=O)c1cc2cc(CC(=O)c3cc4cccc(N)c4[nH]3)ccc2[nH]1.CC(C)(C)C(=O)c1cc2cc(CC(=O)c3ccc(N)cc3)ccc2[nH]1.COC(=O)c1cc2[nH]c(C(=O)C(C)(C)C)cc2cc1C(C)=O.COc1ccc2[nH]c(C(=O)C(C)(C)C)cc2c1
• InChI: InChI=1S/C25H24N2O3.C23H23N3O2.C21H29N3O3.C21H28N2O3.C21H22N2O2.C17H19NO4.C16H17NO4.C14H17NO2/c1-14(28)16-6-8-20-18(11-16)12-21(26-20)23(29)10-15-5-7-19-17(9-15)13-22(27-19)24(30)25(2,3)4;1-23(2,3)22(28)19-12-15-9-13(7-8-17(15)25-19)10-20(27)18-11-14-5-4-6-16(24)21(14)26-18;1-13(25)15-10-14-11-18(19(26)21(2,3)4)22-17(14)12-16(15)20(27)24(7)9-8-23(5)6;1-13(24)15-10-14-11-18(20(26)21(2,3)4)22-17(14)12-16(15)19(25)8-7-9-23(5)6;1-21(2,3)20(25)18-12-15-10-13(4-9-17(15)23-18)11-19(24)14-5-7-16(22)8-6-14;1-9(19)11-6-10-7-14(15(20)17(2,3)4)18-13(10)8-12(11)16(21)22-5;1-8(18)10-5-9-6-13(14(19)16(2,3)4)17-12(9)7-11(10)15(20)21;1-14(2,3)13(16)12-8-9-7-10(17-4)5-6-11(9)15-12/h5-9,11-13,26-27H,10H2,1-4H3;4-9,11-12,25-26H,10,24H2,1-3H3;10-12,22H,8-9H2,1-7H3;10-12,22H,7-9H2,1-6H3;4-10,12,23H,11,22H2,1-3H3;6-8,18H,1-5H3;5-7,17H,1-4H3,(H,20,21);5-8,15H,1-4H3
• InChIKey: HASOLMMVEYVOBY-UHFFFAOYSA-N
• XLogP: 32.24
• TPSA: 599.75 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 26
• Rotatable Bonds: 34
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2656.25
LogP ≤ 5	32.24
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[5-acetyl-6-[4-(dimethylamino)butanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;5-acetyl-N-[2-(dimethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-N-methyl-1H-indole-6-carboxamide;5-acetyl-2-(2,2-dimethylpropanoyl)-1H-indole-6-carboxylic acid;1-[5-[2-(5-acetyl-1H-indol-2-yl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(7-amino-1H-indol-2-yl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-(5-methoxy-1H-indol-2-yl)-2,2-dimethylpropan-1-one;methyl 5-acetyl-2-(2,2-dimethylpropanoyl)-1H-indole-6-carboxylate?

The IUPAC name of 1-[5-acetyl-6-[4-(dimethylamino)butanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;5-acetyl-N-[2-(dimethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-N-methyl-1H-indole-6-carboxamide;5-acetyl-2-(2,2-dimethylpropanoyl)-1H-indole-6-carboxylic acid;1-[5-[2-(5-acetyl-1H-indol-2-yl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(7-amino-1H-indol-2-yl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-(5-methoxy-1H-indol-2-yl)-2,2-dimethylpropan-1-one;methyl 5-acetyl-2-(2,2-dimethylpropanoyl)-1H-indole-6-carboxylate (CID 158423118) is 1-[5-acetyl-6-[4-(dimethylamino)butanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;5-acetyl-N-[2-(dimethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-N-methyl-1H-indole-6-carboxamide;5-acetyl-2-(2,2-dimethylpropanoyl)-1H-indole-6-carboxylic acid;1-[5-[2-(5-acetyl-1H-indol-2-yl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(7-amino-1H-indol-2-yl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-(5-methoxy-1H-indol-2-yl)-2,2-dimethylpropan-1-one;methyl 5-acetyl-2-(2,2-dimethylpropanoyl)-1H-indole-6-carboxylate.

What is the SMILES notation for 1-[5-acetyl-6-[4-(dimethylamino)butanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;5-acetyl-N-[2-(dimethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-N-methyl-1H-indole-6-carboxamide;5-acetyl-2-(2,2-dimethylpropanoyl)-1H-indole-6-carboxylic acid;1-[5-[2-(5-acetyl-1H-indol-2-yl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(7-amino-1H-indol-2-yl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-(5-methoxy-1H-indol-2-yl)-2,2-dimethylpropan-1-one;methyl 5-acetyl-2-(2,2-dimethylpropanoyl)-1H-indole-6-carboxylate?

The canonical SMILES for 1-[5-acetyl-6-[4-(dimethylamino)butanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;5-acetyl-N-[2-(dimethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-N-methyl-1H-indole-6-carboxamide;5-acetyl-2-(2,2-dimethylpropanoyl)-1H-indole-6-carboxylic acid;1-[5-[2-(5-acetyl-1H-indol-2-yl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(7-amino-1H-indol-2-yl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-(5-methoxy-1H-indol-2-yl)-2,2-dimethylpropan-1-one;methyl 5-acetyl-2-(2,2-dimethylpropanoyl)-1H-indole-6-carboxylate is CC(=O)c1cc2cc(C(=O)C(C)(C)C)[nH]c2cc1C(=O)CCCN(C)C.CC(=O)c1cc2cc(C(=O)C(C)(C)C)[nH]c2cc1C(=O)N(C)CCN(C)C.CC(=O)c1cc2cc(C(=O)C(C)(C)C)[nH]c2cc1C(=O)O.CC(=O)c1ccc2[nH]c(C(=O)Cc3ccc4[nH]c(C(=O)C(C)(C)C)cc4c3)cc2c1.CC(C)(C)C(=O)c1cc2cc(CC(=O)c3cc4cccc(N)c4[nH]3)ccc2[nH]1.CC(C)(C)C(=O)c1cc2cc(CC(=O)c3ccc(N)cc3)ccc2[nH]1.COC(=O)c1cc2[nH]c(C(=O)C(C)(C)C)cc2cc1C(C)=O.COc1ccc2[nH]c(C(=O)C(C)(C)C)cc2c1.

What is the InChIKey of 1-[5-acetyl-6-[4-(dimethylamino)butanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;5-acetyl-N-[2-(dimethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-N-methyl-1H-indole-6-carboxamide;5-acetyl-2-(2,2-dimethylpropanoyl)-1H-indole-6-carboxylic acid;1-[5-[2-(5-acetyl-1H-indol-2-yl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(7-amino-1H-indol-2-yl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-(5-methoxy-1H-indol-2-yl)-2,2-dimethylpropan-1-one;methyl 5-acetyl-2-(2,2-dimethylpropanoyl)-1H-indole-6-carboxylate?

The InChIKey is HASOLMMVEYVOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3.C23H23N3O2.C21H29N3O3.C21H28N2O3.C21H22N2O2.C17H19NO4.C16H17NO4.C14H17NO2/c1-14(28)16-6-8-20-18(11-16)12-21(26-20)23(29)10-15-5-7-19-17(9-15)13-22(27-19)24(30)25(2,3)4;1-23(2,3)22(28)19-12-15-9-13(7-8-17(15)25-19)10-20(27)18-11-14-5-4-6-16(24)21(14)26-18;1-13(25)15-10-14-11-18(19(26)21(2,3)4)22-17(14)12-16(15)20(27)24(7)9-8-23(5)6;1-13(24)15-10-14-11-18(20(26)21(2,3)4)22-17(14)12-16(15)19(25)8-7-9-23(5)6;1-21(2,3)20(25)18-12-15-10-13(4-9-17(15)23-18)11-19(24)14-5-7-16(22)8-6-14;1-9(19)11-6-10-7-14(15(20)17(2,3)4)18-13(10)8-12(11)16(21)22-5;1-8(18)10-5-9-6-13(14(19)16(2,3)4)17-12(9)7-11(10)15(20)21;1-14(2,3)13(16)12-8-9-7-10(17-4)5-6-11(9)15-12/h5-9,11-13,26-27H,10H2,1-4H3;4-9,11-12,25-26H,10,24H2,1-3H3;10-12,22H,8-9H2,1-7H3;10-12,22H,7-9H2,1-6H3;4-10,12,23H,11,22H2,1-3H3;6-8,18H,1-5H3;5-7,17H,1-4H3,(H,20,21);5-8,15H,1-4H3.

What are the key properties of 1-[5-acetyl-6-[4-(dimethylamino)butanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;5-acetyl-N-[2-(dimethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-N-methyl-1H-indole-6-carboxamide;5-acetyl-2-(2,2-dimethylpropanoyl)-1H-indole-6-carboxylic acid;1-[5-[2-(5-acetyl-1H-indol-2-yl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(7-amino-1H-indol-2-yl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-(5-methoxy-1H-indol-2-yl)-2,2-dimethylpropan-1-one;methyl 5-acetyl-2-(2,2-dimethylpropanoyl)-1H-indole-6-carboxylate?

1-[5-acetyl-6-[4-(dimethylamino)butanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;5-acetyl-N-[2-(dimethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-N-methyl-1H-indole-6-carboxamide;5-acetyl-2-(2,2-dimethylpropanoyl)-1H-indole-6-carboxylic acid;1-[5-[2-(5-acetyl-1H-indol-2-yl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(7-amino-1H-indol-2-yl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-(5-methoxy-1H-indol-2-yl)-2,2-dimethylpropan-1-one;methyl 5-acetyl-2-(2,2-dimethylpropanoyl)-1H-indole-6-carboxylate has a molecular weight of 2656.25 g/mol, XLogP of 32.24, 34 rotatable bonds, 13 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-acetyl-6-[4-(dimethylamino)butanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;5-acetyl-N-[2-(dimethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-N-methyl-1H-indole-6-carboxamide;5-acetyl-2-(2,2-dimethylpropanoyl)-1H-indole-6-carboxylic acid;1-[5-[2-(5-acetyl-1H-indol-2-yl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(7-amino-1H-indol-2-yl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-(5-methoxy-1H-indol-2-yl)-2,2-dimethylpropan-1-one;methyl 5-acetyl-2-(2,2-dimethylpropanoyl)-1H-indole-6-carboxylate is sourced from PubChem (CID 158423118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).