5-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-[(3-hydroxy-2,6-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide

C36H49N3O7Si — CID 20751528

About 5-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-[(3-hydroxy-2,6-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide

5-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-[(3-hydroxy-2,6-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide (PubChem CID 20751528) has the molecular formula C36H49N3O7Si and a molecular weight of 663.89 g/mol. Its IUPAC name is 5-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-[(3-hydroxy-2,6-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-[(3-hydroxy-2,6-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide
• PubChem CID: 20751528
• Molecular Formula: C36H49N3O7Si
• Molecular Weight: 663.89 g/mol
• Exact Mass: 663.33
• IUPAC Name: 5-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-[(3-hydroxy-2,6-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide
• SMILES: COc1ccc(O)c(OC)c1CNC(=O)c1cc2cc(CC(C)NCC(O[Si](C)(C)C(C)(C)C)c3ccc(O)c(CO)c3)ccc2[nH]1
• InChI: InChI=1S/C36H49N3O7Si/c1-22(37-20-33(46-47(7,8)36(2,3)4)24-10-12-30(41)26(17-24)21-40)15-23-9-11-28-25(16-23)18-29(39-28)35(43)38-19-27-32(44-5)14-13-31(42)34(27)45-6/h9-14,16-18,22,33,37,39-42H,15,19-21H2,1-8H3,(H,38,43)
• InChIKey: NGTZYMIBIISOAK-UHFFFAOYSA-N
• XLogP: 6.30
• TPSA: 145.30 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	663.89
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-[(3-hydroxy-2,6-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide?

The IUPAC name of 5-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-[(3-hydroxy-2,6-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide (CID 20751528) is 5-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-[(3-hydroxy-2,6-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide.

What is the SMILES notation for 5-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-[(3-hydroxy-2,6-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide?

The canonical SMILES for 5-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-[(3-hydroxy-2,6-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide is COc1ccc(O)c(OC)c1CNC(=O)c1cc2cc(CC(C)NCC(O[Si](C)(C)C(C)(C)C)c3ccc(O)c(CO)c3)ccc2[nH]1.

What is the InChIKey of 5-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-[(3-hydroxy-2,6-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide?

The InChIKey is NGTZYMIBIISOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H49N3O7Si/c1-22(37-20-33(46-47(7,8)36(2,3)4)24-10-12-30(41)26(17-24)21-40)15-23-9-11-28-25(16-23)18-29(39-28)35(43)38-19-27-32(44-5)14-13-31(42)34(27)45-6/h9-14,16-18,22,33,37,39-42H,15,19-21H2,1-8H3,(H,38,43).

What are the key properties of 5-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-[(3-hydroxy-2,6-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide?

5-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-[(3-hydroxy-2,6-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 663.89 g/mol, XLogP of 6.30, 14 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-[(3-hydroxy-2,6-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 20751528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).