N-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide;N-[2-(2-tert-butyl-4-fluorophenoxy)ethyl]-2-[2-(1-hydroxyethenyl)phenyl]-N-methylacetamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,1-dimethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-1H-indazole-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methylpyridine-2-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-7H-pyrrolo[3,4-b]pyridine-5-carboxamide

C166H207ClFN23O19 — CID 157110705

About N-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide;N-[2-(2-tert-butyl-4-fluorophenoxy)ethyl]-2-[2-(1-hydroxyethenyl)phenyl]-N-methylacetamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,1-dimethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-1H-indazole-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methylpyridine-2-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-7H-pyrrolo[3,4-b]pyridine-5-carboxamide

N-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide;N-[2-(2-tert-butyl-4-fluorophenoxy)ethyl]-2-[2-(1-hydroxyethenyl)phenyl]-N-methylacetamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,1-dimethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-1H-indazole-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methylpyridine-2-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-7H-pyrrolo[3,4-b]pyridine-5-carboxamide (PubChem CID 157110705) has the molecular formula C166H207ClFN23O19 and a molecular weight of 2883.07 g/mol. Its IUPAC name is N-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide;N-[2-(2-tert-butyl-4-fluorophenoxy)ethyl]-2-[2-(1-hydroxyethenyl)phenyl]-N-methylacetamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,1-dimethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-1H-indazole-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methylpyridine-2-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-7H-pyrrolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide;N-[2-(2-tert-butyl-4-fluorophenoxy)ethyl]-2-[2-(1-hydroxyethenyl)phenyl]-N-methylacetamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,1-dimethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-1H-indazole-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methylpyridine-2-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-7H-pyrrolo[3,4-b]pyridine-5-carboxamide
• PubChem CID: 157110705
• Molecular Formula: C166H207ClFN23O19
• Molecular Weight: 2883.07 g/mol
• Exact Mass: 2880.56
• IUPAC Name: N-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide;N-[2-(2-tert-butyl-4-fluorophenoxy)ethyl]-2-[2-(1-hydroxyethenyl)phenyl]-N-methylacetamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,1-dimethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-1H-indazole-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methylpyridine-2-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-7H-pyrrolo[3,4-b]pyridine-5-carboxamide
• SMILES: C=C(O)c1ccccc1CC(=O)N(C)CCOc1ccc(F)cc1C(C)(C)C.CN(CCOc1ccc(Cl)cc1C(C)(C)C)C(=O)c1cn2ncccc2n1.CN(CCOc1ccccc1C(C)(C)C)C(=O)C1=NCc2ncccc21.CN(CCOc1ccccc1C(C)(C)C)C(=O)c1ccccn1.CN(CCOc1ccccc1C(C)(C)C)C(=O)c1cn2ncccc2n1.CN(CCOc1ccccc1C(C)(C)C)C(=O)c1ncc2n1CCOC2.CN(CCOc1ccccc1C(C)(C)C)C(=O)c1nn(C)c2c1COCC2.Cc1ccc2[nH]nc(C(=O)N(C)CCOc3ccccc3C(C)(C)C)c2c1
• InChI: InChI=1S/C23H28FNO3.C22H27N3O2.C21H29N3O3.C21H25N3O2.C20H23ClN4O2.C20H24N4O2.C20H27N3O3.C19H24N2O2/c1-16(26)19-9-7-6-8-17(19)14-22(27)25(5)12-13-28-21-11-10-18(24)15-20(21)23(2,3)4;1-15-10-11-18-16(14-15)20(24-23-18)21(26)25(5)12-13-27-19-9-7-6-8-17(19)22(2,3)4;1-21(2,3)16-8-6-7-9-18(16)27-13-11-23(4)20(25)19-15-14-26-12-10-17(15)24(5)22-19;1-21(2,3)16-9-5-6-10-18(16)26-13-12-24(4)20(25)19-15-8-7-11-22-17(15)14-23-19;1-20(2,3)15-12-14(21)7-8-17(15)27-11-10-24(4)19(26)16-13-25-18(23-16)6-5-9-22-25;1-20(2,3)15-8-5-6-9-17(15)26-13-12-23(4)19(25)16-14-24-18(22-16)10-7-11-21-24;1-20(2,3)16-7-5-6-8-17(16)26-12-9-22(4)19(24)18-21-13-15-14-25-11-10-23(15)18;1-19(2,3)15-9-5-6-11-17(15)23-14-13-21(4)18(22)16-10-7-8-12-20-16/h6-11,15,26H,1,12-14H2,2-5H3;6-11,14H,12-13H2,1-5H3,(H,23,24);6-9H,10-14H2,1-5H3;5-11H,12-14H2,1-4H3;5-9,12-13H,10-11H2,1-4H3;5-11,14H,12-13H2,1-4H3;5-8,13H,9-12,14H2,1-4H3;5-12H,13-14H2,1-4H3
• InChIKey: AGUWKNGLGZCLCI-UHFFFAOYSA-N
• XLogP: 28.61
• TPSA: 437.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 33
• Rotatable Bonds: 42
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2883.07
LogP ≤ 5	28.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide;N-[2-(2-tert-butyl-4-fluorophenoxy)ethyl]-2-[2-(1-hydroxyethenyl)phenyl]-N-methylacetamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,1-dimethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-1H-indazole-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methylpyridine-2-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-7H-pyrrolo[3,4-b]pyridine-5-carboxamide?

The IUPAC name of N-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide;N-[2-(2-tert-butyl-4-fluorophenoxy)ethyl]-2-[2-(1-hydroxyethenyl)phenyl]-N-methylacetamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,1-dimethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-1H-indazole-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methylpyridine-2-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-7H-pyrrolo[3,4-b]pyridine-5-carboxamide (CID 157110705) is N-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide;N-[2-(2-tert-butyl-4-fluorophenoxy)ethyl]-2-[2-(1-hydroxyethenyl)phenyl]-N-methylacetamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,1-dimethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-1H-indazole-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methylpyridine-2-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-7H-pyrrolo[3,4-b]pyridine-5-carboxamide.

What is the SMILES notation for N-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide;N-[2-(2-tert-butyl-4-fluorophenoxy)ethyl]-2-[2-(1-hydroxyethenyl)phenyl]-N-methylacetamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,1-dimethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-1H-indazole-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methylpyridine-2-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-7H-pyrrolo[3,4-b]pyridine-5-carboxamide?

The canonical SMILES for N-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide;N-[2-(2-tert-butyl-4-fluorophenoxy)ethyl]-2-[2-(1-hydroxyethenyl)phenyl]-N-methylacetamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,1-dimethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-1H-indazole-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methylpyridine-2-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-7H-pyrrolo[3,4-b]pyridine-5-carboxamide is C=C(O)c1ccccc1CC(=O)N(C)CCOc1ccc(F)cc1C(C)(C)C.CN(CCOc1ccc(Cl)cc1C(C)(C)C)C(=O)c1cn2ncccc2n1.CN(CCOc1ccccc1C(C)(C)C)C(=O)C1=NCc2ncccc21.CN(CCOc1ccccc1C(C)(C)C)C(=O)c1ccccn1.CN(CCOc1ccccc1C(C)(C)C)C(=O)c1cn2ncccc2n1.CN(CCOc1ccccc1C(C)(C)C)C(=O)c1ncc2n1CCOC2.CN(CCOc1ccccc1C(C)(C)C)C(=O)c1nn(C)c2c1COCC2.Cc1ccc2[nH]nc(C(=O)N(C)CCOc3ccccc3C(C)(C)C)c2c1.

What is the InChIKey of N-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide;N-[2-(2-tert-butyl-4-fluorophenoxy)ethyl]-2-[2-(1-hydroxyethenyl)phenyl]-N-methylacetamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,1-dimethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-1H-indazole-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methylpyridine-2-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-7H-pyrrolo[3,4-b]pyridine-5-carboxamide?

The InChIKey is AGUWKNGLGZCLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FNO3.C22H27N3O2.C21H29N3O3.C21H25N3O2.C20H23ClN4O2.C20H24N4O2.C20H27N3O3.C19H24N2O2/c1-16(26)19-9-7-6-8-17(19)14-22(27)25(5)12-13-28-21-11-10-18(24)15-20(21)23(2,3)4;1-15-10-11-18-16(14-15)20(24-23-18)21(26)25(5)12-13-27-19-9-7-6-8-17(19)22(2,3)4;1-21(2,3)16-8-6-7-9-18(16)27-13-11-23(4)20(25)19-15-14-26-12-10-17(15)24(5)22-19;1-21(2,3)16-9-5-6-10-18(16)26-13-12-24(4)20(25)19-15-8-7-11-22-17(15)14-23-19;1-20(2,3)15-12-14(21)7-8-17(15)27-11-10-24(4)19(26)16-13-25-18(23-16)6-5-9-22-25;1-20(2,3)15-8-5-6-9-17(15)26-13-12-23(4)19(25)16-14-24-18(22-16)10-7-11-21-24;1-20(2,3)16-7-5-6-8-17(16)26-12-9-22(4)19(24)18-21-13-15-14-25-11-10-23(15)18;1-19(2,3)15-9-5-6-11-17(15)23-14-13-21(4)18(22)16-10-7-8-12-20-16/h6-11,15,26H,1,12-14H2,2-5H3;6-11,14H,12-13H2,1-5H3,(H,23,24);6-9H,10-14H2,1-5H3;5-11H,12-14H2,1-4H3;5-9,12-13H,10-11H2,1-4H3;5-11,14H,12-13H2,1-4H3;5-8,13H,9-12,14H2,1-4H3;5-12H,13-14H2,1-4H3.

What are the key properties of N-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide;N-[2-(2-tert-butyl-4-fluorophenoxy)ethyl]-2-[2-(1-hydroxyethenyl)phenyl]-N-methylacetamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,1-dimethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-1H-indazole-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methylpyridine-2-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-7H-pyrrolo[3,4-b]pyridine-5-carboxamide?

N-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide;N-[2-(2-tert-butyl-4-fluorophenoxy)ethyl]-2-[2-(1-hydroxyethenyl)phenyl]-N-methylacetamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,1-dimethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-1H-indazole-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methylpyridine-2-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-7H-pyrrolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 2883.07 g/mol, XLogP of 28.61, 42 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide;N-[2-(2-tert-butyl-4-fluorophenoxy)ethyl]-2-[2-(1-hydroxyethenyl)phenyl]-N-methylacetamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,1-dimethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-1H-indazole-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-3-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methylpyridine-2-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-7H-pyrrolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 157110705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).