1-[7-amino-5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[2-aminoethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[4-(dimethylamino)butanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;N-[2-[[5-[2-(dimethylamino)ethoxy]-2-(2,2-dimethylpropanoyl)-1H-indol-6-yl]oxy]ethyl]acetamide;N-[2-(dimethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-1H-indole-5-carboxamide;1-[5-[3-(dimethylamino)propanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;5-[2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-methylamino]pentan-2-one;2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-trimethylazanium;1-[5-[2-[3-[2-(2-hydroxyethoxy)ethyl]-3H-1,2,4-triazol-5-yl]-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one

C171H241N24O23+ — CID 160784532

IUPAC1-[7-amino-5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[2-aminoethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[4-(dimethylamino)butanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;N-[2-[[5-[2-(dimethylamino)ethoxy]-2-(2,2-dimethylpropanoyl)-1H-indol-6-yl]oxy]ethyl]acetamide;N-[2-(dimethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-1H-indole-5-carboxamide;1-[5-[3-(dimethylamino)propanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;5-[2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-methylamino]pentan-2-one;2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-trimethylazanium;1-[5-[2-[3-[2-(2-hydroxyethoxy)ethyl]-3H-1,2,4-triazol-5-yl]-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(=O)CCCN(C)CCOc1ccc2[nH]c(C(=O)C(C)(C)C)cc2c1.CC(=O)NCCOc1cc2[nH]c(C(=O)C(C)(C)C)cc2cc1OCCN(C)C.CC(C)(C)C(=O)c1cc2cc(CC(=O)C3=NC(CCOCCO)N=N3)ccc2[nH]1.CC(C)(C)C(=O)c1cc2cc(OCC[N+](C)(C)C)ccc2[nH]1.CN(C)CCC(=O)c1ccc2[nH]c(C(=O)C(C)(C)C)cc2c1.CN(C)CCCC(=O)c1ccc2[nH]c(C(=O)C(C)(C)C)cc2c1.CN(C)CCNC(=O)c1ccc2[nH]c(C(=O)C(C)(C)C)cc2c1.CN(C)CCOc1cc(N)c2[nH]c(C(=O)C(C)(C)C)cc2c1.CN(CCN)CCOc1ccc2[nH]c(C(=O)C(C)(C)C)cc2c1
InChIInChI=1S/C21H26N4O4.C21H31N3O4.C21H30N2O3.C19H26N2O2.C18H25N3O2.C18H27N3O2.C18H26N2O2.C18H24N2O2.C17H25N3O2/c1-21(2,3)19(28)16-12-14-10-13(4-5-15(14)22-16)11-17(27)20-23-18(24-25-20)6-8-29-9-7-26;1-14(25)22-7-9-27-19-13-16-15(12-18(19)28-10-8-24(5)6)11-17(23-16)20(26)21(2,3)4;1-15(24)7-6-10-23(5)11-12-26-17-8-9-18-16(13-17)14-19(22-18)20(25)21(2,3)4;1-19(2,3)18(23)16-12-14-11-13(8-9-15(14)20-16)17(22)7-6-10-21(4)5;1-18(2,3)16(22)15-11-13-10-12(6-7-14(13)20-15)17(23)19-8-9-21(4)5;1-18(2,3)17(22)16-12-13-11-14(5-6-15(13)20-16)23-10-9-21(4)8-7-19;1-18(2,3)17(21)16-12-13-11-14(7-8-15(13)19-16)22-10-9-20(4,5)6;1-18(2,3)17(22)15-11-13-10-12(6-7-14(13)19-15)16(21)8-9-20(4)5;1-17(2,3)16(21)14-9-11-8-12(22-7-6-20(4)5)10-13(18)15(11)19-14/h4-5,10,12,18,22,26H,6-9,11H2,1-3H3;11-13,23H,7-10H2,1-6H3,(H,22,25);8-9,13-14,22H,6-7,10-12H2,1-5H3;8-9,11-12,20H,6-7,10H2,1-5H3;6-7,10-11,20H,8-9H2,1-5H3,(H,19,23);5-6,11-12,20H,7-10,19H2,1-4H3;7-8,11-12H,9-10H2,1-6H3;6-7,10-11,19H,8-9H2,1-5H3;8-10,19H,6-7,18H2,1-5H3/p+1
InChIKeySBALHHGQJBBUPB-UHFFFAOYSA-O
MW3000.95 g/mol
LogP29.23
Rot. Bonds60

About 1-[7-amino-5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[2-aminoethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[4-(dimethylamino)butanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;N-[2-[[5-[2-(dimethylamino)ethoxy]-2-(2,2-dimethylpropanoyl)-1H-indol-6-yl]oxy]ethyl]acetamide;N-[2-(dimethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-1H-indole-5-carboxamide;1-[5-[3-(dimethylamino)propanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;5-[2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-methylamino]pentan-2-one;2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-trimethylazanium;1-[5-[2-[3-[2-(2-hydroxyethoxy)ethyl]-3H-1,2,4-triazol-5-yl]-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one

1-[7-amino-5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[2-aminoethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[4-(dimethylamino)butanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;N-[2-[[5-[2-(dimethylamino)ethoxy]-2-(2,2-dimethylpropanoyl)-1H-indol-6-yl]oxy]ethyl]acetamide;N-[2-(dimethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-1H-indole-5-carboxamide;1-[5-[3-(dimethylamino)propanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;5-[2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-methylamino]pentan-2-one;2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-trimethylazanium;1-[5-[2-[3-[2-(2-hydroxyethoxy)ethyl]-3H-1,2,4-triazol-5-yl]-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one (PubChem CID 160784532) has the molecular formula C171H241N24O23+ and a molecular weight of 3000.95 g/mol. Its IUPAC name is 1-[7-amino-5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[2-aminoethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[4-(dimethylamino)butanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;N-[2-[[5-[2-(dimethylamino)ethoxy]-2-(2,2-dimethylpropanoyl)-1H-indol-6-yl]oxy]ethyl]acetamide;N-[2-(dimethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-1H-indole-5-carboxamide;1-[5-[3-(dimethylamino)propanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;5-[2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-methylamino]pentan-2-one;2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-trimethylazanium;1-[5-[2-[3-[2-(2-hydroxyethoxy)ethyl]-3H-1,2,4-triazol-5-yl]-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[7-amino-5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[2-aminoethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[4-(dimethylamino)butanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;N-[2-[[5-[2-(dimethylamino)ethoxy]-2-(2,2-dimethylpropanoyl)-1H-indol-6-yl]oxy]ethyl]acetamide;N-[2-(dimethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-1H-indole-5-carboxamide;1-[5-[3-(dimethylamino)propanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;5-[2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-methylamino]pentan-2-one;2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-trimethylazanium;1-[5-[2-[3-[2-(2-hydroxyethoxy)ethyl]-3H-1,2,4-triazol-5-yl]-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one
PubChem CID160784532
Molecular FormulaC171H241N24O23+
Molecular Weight3000.95 g/mol
Exact Mass2998.84
IUPAC Name1-[7-amino-5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[2-aminoethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[4-(dimethylamino)butanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;N-[2-[[5-[2-(dimethylamino)ethoxy]-2-(2,2-dimethylpropanoyl)-1H-indol-6-yl]oxy]ethyl]acetamide;N-[2-(dimethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-1H-indole-5-carboxamide;1-[5-[3-(dimethylamino)propanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;5-[2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-methylamino]pentan-2-one;2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-trimethylazanium;1-[5-[2-[3-[2-(2-hydroxyethoxy)ethyl]-3H-1,2,4-triazol-5-yl]-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(=O)CCCN(C)CCOc1ccc2[nH]c(C(=O)C(C)(C)C)cc2c1.CC(=O)NCCOc1cc2[nH]c(C(=O)C(C)(C)C)cc2cc1OCCN(C)C.CC(C)(C)C(=O)c1cc2cc(CC(=O)C3=NC(CCOCCO)N=N3)ccc2[nH]1.CC(C)(C)C(=O)c1cc2cc(OCC[N+](C)(C)C)ccc2[nH]1.CN(C)CCC(=O)c1ccc2[nH]c(C(=O)C(C)(C)C)cc2c1.CN(C)CCCC(=O)c1ccc2[nH]c(C(=O)C(C)(C)C)cc2c1.CN(C)CCNC(=O)c1ccc2[nH]c(C(=O)C(C)(C)C)cc2c1.CN(C)CCOc1cc(N)c2[nH]c(C(=O)C(C)(C)C)cc2c1.CN(CCN)CCOc1ccc2[nH]c(C(=O)C(C)(C)C)cc2c1
InChIInChI=1S/C21H26N4O4.C21H31N3O4.C21H30N2O3.C19H26N2O2.C18H25N3O2.C18H27N3O2.C18H26N2O2.C18H24N2O2.C17H25N3O2/c1-21(2,3)19(28)16-12-14-10-13(4-5-15(14)22-16)11-17(27)20-23-18(24-25-20)6-8-29-9-7-26;1-14(25)22-7-9-27-19-13-16-15(12-18(19)28-10-8-24(5)6)11-17(23-16)20(26)21(2,3)4;1-15(24)7-6-10-23(5)11-12-26-17-8-9-18-16(13-17)14-19(22-18)20(25)21(2,3)4;1-19(2,3)18(23)16-12-14-11-13(8-9-15(14)20-16)17(22)7-6-10-21(4)5;1-18(2,3)16(22)15-11-13-10-12(6-7-14(13)20-15)17(23)19-8-9-21(4)5;1-18(2,3)17(22)16-12-13-11-14(5-6-15(13)20-16)23-10-9-21(4)8-7-19;1-18(2,3)17(21)16-12-13-11-14(7-8-15(13)19-16)22-10-9-20(4,5)6;1-18(2,3)17(22)15-11-13-10-12(6-7-14(13)19-15)16(21)8-9-20(4)5;1-17(2,3)16(21)14-9-11-8-12(22-7-6-20(4)5)10-13(18)15(11)19-14/h4-5,10,12,18,22,26H,6-9,11H2,1-3H3;11-13,23H,7-10H2,1-6H3,(H,22,25);8-9,13-14,22H,6-7,10-12H2,1-5H3;8-9,11-12,20H,6-7,10H2,1-5H3;6-7,10-11,20H,8-9H2,1-5H3,(H,19,23);5-6,11-12,20H,7-10,19H2,1-4H3;7-8,11-12H,9-10H2,1-6H3;6-7,10-11,19H,8-9H2,1-5H3;8-10,19H,6-7,18H2,1-5H3/p+1
InChIKeySBALHHGQJBBUPB-UHFFFAOYSA-O
XLogP29.23
TPSA618.86 Ų
H-Bond Donors14
H-Bond Acceptors35
Rotatable Bonds60
Heavy Atoms218
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003000.95
LogP ≤ 529.23
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1-[7-amino-5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[2-aminoethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[4-(dimethylamino)butanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;N-[2-[[5-[2-(dimethylamino)ethoxy]-2-(2,2-dimethylpropanoyl)-1H-indol-6-yl]oxy]ethyl]acetamide;N-[2-(dimethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-1H-indole-5-carboxamide;1-[5-[3-(dimethylamino)propanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;5-[2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-methylamino]pentan-2-one;2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-trimethylazanium;1-[5-[2-[3-[2-(2-hydroxyethoxy)ethyl]-3H-1,2,4-triazol-5-yl]-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[7-amino-5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[2-aminoethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[4-(dimethylamino)butanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;N-[2-[[5-[2-(dimethylamino)ethoxy]-2-(2,2-dimethylpropanoyl)-1H-indol-6-yl]oxy]ethyl]acetamide;N-[2-(dimethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-1H-indole-5-carboxamide;1-[5-[3-(dimethylamino)propanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;5-[2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-methylamino]pentan-2-one;2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-trimethylazanium;1-[5-[2-[3-[2-(2-hydroxyethoxy)ethyl]-3H-1,2,4-triazol-5-yl]-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[7-amino-5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[2-aminoethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[4-(dimethylamino)butanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;N-[2-[[5-[2-(dimethylamino)ethoxy]-2-(2,2-dimethylpropanoyl)-1H-indol-6-yl]oxy]ethyl]acetamide;N-[2-(dimethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-1H-indole-5-carboxamide;1-[5-[3-(dimethylamino)propanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;5-[2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-methylamino]pentan-2-one;2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-trimethylazanium;1-[5-[2-[3-[2-(2-hydroxyethoxy)ethyl]-3H-1,2,4-triazol-5-yl]-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one (CID 160784532) is 1-[7-amino-5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[2-aminoethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[4-(dimethylamino)butanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;N-[2-[[5-[2-(dimethylamino)ethoxy]-2-(2,2-dimethylpropanoyl)-1H-indol-6-yl]oxy]ethyl]acetamide;N-[2-(dimethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-1H-indole-5-carboxamide;1-[5-[3-(dimethylamino)propanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;5-[2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-methylamino]pentan-2-one;2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-trimethylazanium;1-[5-[2-[3-[2-(2-hydroxyethoxy)ethyl]-3H-1,2,4-triazol-5-yl]-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[7-amino-5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[2-aminoethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[4-(dimethylamino)butanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;N-[2-[[5-[2-(dimethylamino)ethoxy]-2-(2,2-dimethylpropanoyl)-1H-indol-6-yl]oxy]ethyl]acetamide;N-[2-(dimethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-1H-indole-5-carboxamide;1-[5-[3-(dimethylamino)propanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;5-[2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-methylamino]pentan-2-one;2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-trimethylazanium;1-[5-[2-[3-[2-(2-hydroxyethoxy)ethyl]-3H-1,2,4-triazol-5-yl]-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[7-amino-5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[2-aminoethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[4-(dimethylamino)butanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;N-[2-[[5-[2-(dimethylamino)ethoxy]-2-(2,2-dimethylpropanoyl)-1H-indol-6-yl]oxy]ethyl]acetamide;N-[2-(dimethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-1H-indole-5-carboxamide;1-[5-[3-(dimethylamino)propanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;5-[2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-methylamino]pentan-2-one;2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-trimethylazanium;1-[5-[2-[3-[2-(2-hydroxyethoxy)ethyl]-3H-1,2,4-triazol-5-yl]-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one is CC(=O)CCCN(C)CCOc1ccc2[nH]c(C(=O)C(C)(C)C)cc2c1.CC(=O)NCCOc1cc2[nH]c(C(=O)C(C)(C)C)cc2cc1OCCN(C)C.CC(C)(C)C(=O)c1cc2cc(CC(=O)C3=NC(CCOCCO)N=N3)ccc2[nH]1.CC(C)(C)C(=O)c1cc2cc(OCC[N+](C)(C)C)ccc2[nH]1.CN(C)CCC(=O)c1ccc2[nH]c(C(=O)C(C)(C)C)cc2c1.CN(C)CCCC(=O)c1ccc2[nH]c(C(=O)C(C)(C)C)cc2c1.CN(C)CCNC(=O)c1ccc2[nH]c(C(=O)C(C)(C)C)cc2c1.CN(C)CCOc1cc(N)c2[nH]c(C(=O)C(C)(C)C)cc2c1.CN(CCN)CCOc1ccc2[nH]c(C(=O)C(C)(C)C)cc2c1.
What is the InChIKey of 1-[7-amino-5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[2-aminoethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[4-(dimethylamino)butanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;N-[2-[[5-[2-(dimethylamino)ethoxy]-2-(2,2-dimethylpropanoyl)-1H-indol-6-yl]oxy]ethyl]acetamide;N-[2-(dimethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-1H-indole-5-carboxamide;1-[5-[3-(dimethylamino)propanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;5-[2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-methylamino]pentan-2-one;2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-trimethylazanium;1-[5-[2-[3-[2-(2-hydroxyethoxy)ethyl]-3H-1,2,4-triazol-5-yl]-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one?
The InChIKey is SBALHHGQJBBUPB-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H26N4O4.C21H31N3O4.C21H30N2O3.C19H26N2O2.C18H25N3O2.C18H27N3O2.C18H26N2O2.C18H24N2O2.C17H25N3O2/c1-21(2,3)19(28)16-12-14-10-13(4-5-15(14)22-16)11-17(27)20-23-18(24-25-20)6-8-29-9-7-26;1-14(25)22-7-9-27-19-13-16-15(12-18(19)28-10-8-24(5)6)11-17(23-16)20(26)21(2,3)4;1-15(24)7-6-10-23(5)11-12-26-17-8-9-18-16(13-17)14-19(22-18)20(25)21(2,3)4;1-19(2,3)18(23)16-12-14-11-13(8-9-15(14)20-16)17(22)7-6-10-21(4)5;1-18(2,3)16(22)15-11-13-10-12(6-7-14(13)20-15)17(23)19-8-9-21(4)5;1-18(2,3)17(22)16-12-13-11-14(5-6-15(13)20-16)23-10-9-21(4)8-7-19;1-18(2,3)17(21)16-12-13-11-14(7-8-15(13)19-16)22-10-9-20(4,5)6;1-18(2,3)17(22)15-11-13-10-12(6-7-14(13)19-15)16(21)8-9-20(4)5;1-17(2,3)16(21)14-9-11-8-12(22-7-6-20(4)5)10-13(18)15(11)19-14/h4-5,10,12,18,22,26H,6-9,11H2,1-3H3;11-13,23H,7-10H2,1-6H3,(H,22,25);8-9,13-14,22H,6-7,10-12H2,1-5H3;8-9,11-12,20H,6-7,10H2,1-5H3;6-7,10-11,20H,8-9H2,1-5H3,(H,19,23);5-6,11-12,20H,7-10,19H2,1-4H3;7-8,11-12H,9-10H2,1-6H3;6-7,10-11,19H,8-9H2,1-5H3;8-10,19H,6-7,18H2,1-5H3/p+1.
What are the key properties of 1-[7-amino-5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[2-aminoethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[4-(dimethylamino)butanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;N-[2-[[5-[2-(dimethylamino)ethoxy]-2-(2,2-dimethylpropanoyl)-1H-indol-6-yl]oxy]ethyl]acetamide;N-[2-(dimethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-1H-indole-5-carboxamide;1-[5-[3-(dimethylamino)propanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;5-[2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-methylamino]pentan-2-one;2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-trimethylazanium;1-[5-[2-[3-[2-(2-hydroxyethoxy)ethyl]-3H-1,2,4-triazol-5-yl]-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one?
1-[7-amino-5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[2-aminoethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[4-(dimethylamino)butanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;N-[2-[[5-[2-(dimethylamino)ethoxy]-2-(2,2-dimethylpropanoyl)-1H-indol-6-yl]oxy]ethyl]acetamide;N-[2-(dimethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-1H-indole-5-carboxamide;1-[5-[3-(dimethylamino)propanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;5-[2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-methylamino]pentan-2-one;2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-trimethylazanium;1-[5-[2-[3-[2-(2-hydroxyethoxy)ethyl]-3H-1,2,4-triazol-5-yl]-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one has a molecular weight of 3000.95 g/mol, XLogP of 29.23, 60 rotatable bonds, 14 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-amino-5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[2-aminoethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;1-[5-[4-(dimethylamino)butanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;N-[2-[[5-[2-(dimethylamino)ethoxy]-2-(2,2-dimethylpropanoyl)-1H-indol-6-yl]oxy]ethyl]acetamide;N-[2-(dimethylamino)ethyl]-2-(2,2-dimethylpropanoyl)-1H-indole-5-carboxamide;1-[5-[3-(dimethylamino)propanoyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one;5-[2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-methylamino]pentan-2-one;2-[[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]oxy]ethyl-trimethylazanium;1-[5-[2-[3-[2-(2-hydroxyethoxy)ethyl]-3H-1,2,4-triazol-5-yl]-2-oxoethyl]-1H-indol-2-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 160784532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).