5-(2,2-dimethylpropanoyl)-N-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-1H-indole-2-carboxamide;5-(2,2-dimethylpropanoyl)-N-(4-hydroxyphenyl)-1H-indole-2-carboxamide;5-(2,2-dimethylpropanoyl)-N-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1H-indole-2-carboxamide;1-[2-[4-(4-hydroxyphenyl)-1H-pyrrol-2-yl]-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one

C95H107N9O17 — CID 158754982

About 5-(2,2-dimethylpropanoyl)-N-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-1H-indole-2-carboxamide;5-(2,2-dimethylpropanoyl)-N-(4-hydroxyphenyl)-1H-indole-2-carboxamide;5-(2,2-dimethylpropanoyl)-N-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1H-indole-2-carboxamide;1-[2-[4-(4-hydroxyphenyl)-1H-pyrrol-2-yl]-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one

5-(2,2-dimethylpropanoyl)-N-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-1H-indole-2-carboxamide;5-(2,2-dimethylpropanoyl)-N-(4-hydroxyphenyl)-1H-indole-2-carboxamide;5-(2,2-dimethylpropanoyl)-N-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1H-indole-2-carboxamide;1-[2-[4-(4-hydroxyphenyl)-1H-pyrrol-2-yl]-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one (PubChem CID 158754982) has the molecular formula C95H107N9O17 and a molecular weight of 1646.95 g/mol. Its IUPAC name is 5-(2,2-dimethylpropanoyl)-N-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-1H-indole-2-carboxamide;5-(2,2-dimethylpropanoyl)-N-(4-hydroxyphenyl)-1H-indole-2-carboxamide;5-(2,2-dimethylpropanoyl)-N-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1H-indole-2-carboxamide;1-[2-[4-(4-hydroxyphenyl)-1H-pyrrol-2-yl]-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

• Compound Name: 5-(2,2-dimethylpropanoyl)-N-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-1H-indole-2-carboxamide;5-(2,2-dimethylpropanoyl)-N-(4-hydroxyphenyl)-1H-indole-2-carboxamide;5-(2,2-dimethylpropanoyl)-N-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1H-indole-2-carboxamide;1-[2-[4-(4-hydroxyphenyl)-1H-pyrrol-2-yl]-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one
• PubChem CID: 158754982
• Molecular Formula: C95H107N9O17
• Molecular Weight: 1646.95 g/mol
• Exact Mass: 1645.78
• IUPAC Name: 5-(2,2-dimethylpropanoyl)-N-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-1H-indole-2-carboxamide;5-(2,2-dimethylpropanoyl)-N-(4-hydroxyphenyl)-1H-indole-2-carboxamide;5-(2,2-dimethylpropanoyl)-N-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1H-indole-2-carboxamide;1-[2-[4-(4-hydroxyphenyl)-1H-pyrrol-2-yl]-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one
• SMILES: CC(C)(C)C(=O)c1ccc2[nH]c(C(=O)Nc3ccc(O)cc3)cc2c1.CC(C)(C)C(=O)c1ccc2[nH]c(C(=O)Nc3ccc(OCCOCCO)cc3)cc2c1.CC(C)(C)C(=O)c1ccc2nc(-c3cc(-c4ccc(O)cc4)c[nH]3)[nH]c2c1.COCCOCCOCCOCCOc1ccc(NC(=O)c2cc3cc(C(=O)C(C)(C)C)ccc3[nH]2)cc1
• InChI: InChI=1S/C29H38N2O7.C24H28N2O5.C22H21N3O2.C20H20N2O3/c1-29(2,3)27(32)21-5-10-25-22(19-21)20-26(31-25)28(33)30-23-6-8-24(9-7-23)38-18-17-37-16-15-36-14-13-35-12-11-34-4;1-24(2,3)22(28)16-4-9-20-17(14-16)15-21(26-20)23(29)25-18-5-7-19(8-6-18)31-13-12-30-11-10-27;1-22(2,3)20(27)14-6-9-17-18(10-14)25-21(24-17)19-11-15(12-23-19)13-4-7-16(26)8-5-13;1-20(2,3)18(24)12-4-9-16-13(10-12)11-17(22-16)19(25)21-14-5-7-15(23)8-6-14/h5-10,19-20,31H,11-18H2,1-4H3,(H,30,33);4-9,14-15,26-27H,10-13H2,1-3H3,(H,25,29);4-12,23,26H,1-3H3,(H,24,25);4-11,22-23H,1-3H3,(H,21,25)
• InChIKey: INYLBFZHBAINLQ-UHFFFAOYSA-N
• XLogP: 18.27
• TPSA: 372.72 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 18
• Rotatable Bonds: 31
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1646.95
LogP ≤ 5	18.27
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropanoyl)-N-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-1H-indole-2-carboxamide;5-(2,2-dimethylpropanoyl)-N-(4-hydroxyphenyl)-1H-indole-2-carboxamide;5-(2,2-dimethylpropanoyl)-N-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1H-indole-2-carboxamide;1-[2-[4-(4-hydroxyphenyl)-1H-pyrrol-2-yl]-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one?

The IUPAC name of 5-(2,2-dimethylpropanoyl)-N-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-1H-indole-2-carboxamide;5-(2,2-dimethylpropanoyl)-N-(4-hydroxyphenyl)-1H-indole-2-carboxamide;5-(2,2-dimethylpropanoyl)-N-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1H-indole-2-carboxamide;1-[2-[4-(4-hydroxyphenyl)-1H-pyrrol-2-yl]-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one (CID 158754982) is 5-(2,2-dimethylpropanoyl)-N-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-1H-indole-2-carboxamide;5-(2,2-dimethylpropanoyl)-N-(4-hydroxyphenyl)-1H-indole-2-carboxamide;5-(2,2-dimethylpropanoyl)-N-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1H-indole-2-carboxamide;1-[2-[4-(4-hydroxyphenyl)-1H-pyrrol-2-yl]-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one.

What is the SMILES notation for 5-(2,2-dimethylpropanoyl)-N-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-1H-indole-2-carboxamide;5-(2,2-dimethylpropanoyl)-N-(4-hydroxyphenyl)-1H-indole-2-carboxamide;5-(2,2-dimethylpropanoyl)-N-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1H-indole-2-carboxamide;1-[2-[4-(4-hydroxyphenyl)-1H-pyrrol-2-yl]-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one?

The canonical SMILES for 5-(2,2-dimethylpropanoyl)-N-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-1H-indole-2-carboxamide;5-(2,2-dimethylpropanoyl)-N-(4-hydroxyphenyl)-1H-indole-2-carboxamide;5-(2,2-dimethylpropanoyl)-N-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1H-indole-2-carboxamide;1-[2-[4-(4-hydroxyphenyl)-1H-pyrrol-2-yl]-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1ccc2[nH]c(C(=O)Nc3ccc(O)cc3)cc2c1.CC(C)(C)C(=O)c1ccc2[nH]c(C(=O)Nc3ccc(OCCOCCO)cc3)cc2c1.CC(C)(C)C(=O)c1ccc2nc(-c3cc(-c4ccc(O)cc4)c[nH]3)[nH]c2c1.COCCOCCOCCOCCOc1ccc(NC(=O)c2cc3cc(C(=O)C(C)(C)C)ccc3[nH]2)cc1.

What is the InChIKey of 5-(2,2-dimethylpropanoyl)-N-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-1H-indole-2-carboxamide;5-(2,2-dimethylpropanoyl)-N-(4-hydroxyphenyl)-1H-indole-2-carboxamide;5-(2,2-dimethylpropanoyl)-N-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1H-indole-2-carboxamide;1-[2-[4-(4-hydroxyphenyl)-1H-pyrrol-2-yl]-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one?

The InChIKey is INYLBFZHBAINLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2O7.C24H28N2O5.C22H21N3O2.C20H20N2O3/c1-29(2,3)27(32)21-5-10-25-22(19-21)20-26(31-25)28(33)30-23-6-8-24(9-7-23)38-18-17-37-16-15-36-14-13-35-12-11-34-4;1-24(2,3)22(28)16-4-9-20-17(14-16)15-21(26-20)23(29)25-18-5-7-19(8-6-18)31-13-12-30-11-10-27;1-22(2,3)20(27)14-6-9-17-18(10-14)25-21(24-17)19-11-15(12-23-19)13-4-7-16(26)8-5-13;1-20(2,3)18(24)12-4-9-16-13(10-12)11-17(22-16)19(25)21-14-5-7-15(23)8-6-14/h5-10,19-20,31H,11-18H2,1-4H3,(H,30,33);4-9,14-15,26-27H,10-13H2,1-3H3,(H,25,29);4-12,23,26H,1-3H3,(H,24,25);4-11,22-23H,1-3H3,(H,21,25).

What are the key properties of 5-(2,2-dimethylpropanoyl)-N-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-1H-indole-2-carboxamide;5-(2,2-dimethylpropanoyl)-N-(4-hydroxyphenyl)-1H-indole-2-carboxamide;5-(2,2-dimethylpropanoyl)-N-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1H-indole-2-carboxamide;1-[2-[4-(4-hydroxyphenyl)-1H-pyrrol-2-yl]-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one?

5-(2,2-dimethylpropanoyl)-N-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-1H-indole-2-carboxamide;5-(2,2-dimethylpropanoyl)-N-(4-hydroxyphenyl)-1H-indole-2-carboxamide;5-(2,2-dimethylpropanoyl)-N-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1H-indole-2-carboxamide;1-[2-[4-(4-hydroxyphenyl)-1H-pyrrol-2-yl]-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one has a molecular weight of 1646.95 g/mol, XLogP of 18.27, 31 rotatable bonds, 11 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,2-dimethylpropanoyl)-N-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-1H-indole-2-carboxamide;5-(2,2-dimethylpropanoyl)-N-(4-hydroxyphenyl)-1H-indole-2-carboxamide;5-(2,2-dimethylpropanoyl)-N-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1H-indole-2-carboxamide;1-[2-[4-(4-hydroxyphenyl)-1H-pyrrol-2-yl]-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 158754982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).