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

C36H49N3O6Si — CID 12988828

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

5-[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-[(2,6-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide (PubChem CID 12988828) has the molecular formula C36H49N3O6Si and a molecular weight of 647.89 g/mol. Its IUPAC name is 5-[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-[(2,6-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-[(2,6-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide
• PubChem CID: 12988828
• Molecular Formula: C36H49N3O6Si
• Molecular Weight: 647.89 g/mol
• Exact Mass: 647.34
• IUPAC Name: 5-[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-[(2,6-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide
• SMILES: COc1cccc(OC)c1CNC(=O)c1cc2cc(C[C@@H](C)NC[C@H](O[Si](C)(C)C(C)(C)C)c3ccc(O)c(CO)c3)ccc2[nH]1
• InChI: InChI=1S/C36H49N3O6Si/c1-23(37-21-34(45-46(7,8)36(2,3)4)25-13-15-31(41)27(18-25)22-40)16-24-12-14-29-26(17-24)19-30(39-29)35(42)38-20-28-32(43-5)10-9-11-33(28)44-6/h9-15,17-19,23,34,37,39-41H,16,20-22H2,1-8H3,(H,38,42)/t23-,34+/m1/s1
• InChIKey: PRSLBZRORZJDCQ-NHOCJEJCSA-N
• XLogP: 6.60
• TPSA: 125.07 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	647.89
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-[(2,6-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide (CID 12988828) is 5-[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-[(2,6-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide.

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

The canonical SMILES for 5-[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-[(2,6-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide is COc1cccc(OC)c1CNC(=O)c1cc2cc(C[C@@H](C)NC[C@H](O[Si](C)(C)C(C)(C)C)c3ccc(O)c(CO)c3)ccc2[nH]1.

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

The InChIKey is PRSLBZRORZJDCQ-NHOCJEJCSA-N. The full InChI is InChI=1S/C36H49N3O6Si/c1-23(37-21-34(45-46(7,8)36(2,3)4)25-13-15-31(41)27(18-25)22-40)16-24-12-14-29-26(17-24)19-30(39-29)35(42)38-20-28-32(43-5)10-9-11-33(28)44-6/h9-15,17-19,23,34,37,39-41H,16,20-22H2,1-8H3,(H,38,42)/t23-,34+/m1/s1.

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

5-[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-[(2,6-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 647.89 g/mol, XLogP of 6.60, 14 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-[(2,6-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 12988828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).