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

C35H47N3O4Si — CID 71209094

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

5-[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide (PubChem CID 71209094) has the molecular formula C35H47N3O4Si and a molecular weight of 601.86 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-[(1R)-1-phenylethyl]-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-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide
• PubChem CID: 71209094
• Molecular Formula: C35H47N3O4Si
• Molecular Weight: 601.86 g/mol
• Exact Mass: 601.33
• IUPAC Name: 5-[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide
• SMILES: C[C@H](Cc1ccc2[nH]c(C(=O)N[C@H](C)c3ccccc3)cc2c1)NC[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(O)c(CO)c1
• InChI: InChI=1S/C35H47N3O4Si/c1-23(36-21-33(42-43(6,7)35(3,4)5)27-14-16-32(40)29(19-27)22-39)17-25-13-15-30-28(18-25)20-31(38-30)34(41)37-24(2)26-11-9-8-10-12-26/h8-16,18-20,23-24,33,36,38-40H,17,21-22H2,1-7H3,(H,37,41)/t23-,24-,33+/m1/s1
• InChIKey: KPGIKJMZCVBQPC-PYAKLNENSA-N
• XLogP: 7.14
• TPSA: 106.61 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.86
LogP ≤ 5	7.14
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

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-[(1R)-1-phenylethyl]-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-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide (CID 71209094) is 5-[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-[(1R)-1-phenylethyl]-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-[(1R)-1-phenylethyl]-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-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide is C[C@H](Cc1ccc2[nH]c(C(=O)N[C@H](C)c3ccccc3)cc2c1)NC[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(O)c(CO)c1.

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-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide?

The InChIKey is KPGIKJMZCVBQPC-PYAKLNENSA-N. The full InChI is InChI=1S/C35H47N3O4Si/c1-23(36-21-33(42-43(6,7)35(3,4)5)27-14-16-32(40)29(19-27)22-39)17-25-13-15-30-28(18-25)20-31(38-30)34(41)37-24(2)26-11-9-8-10-12-26/h8-16,18-20,23-24,33,36,38-40H,17,21-22H2,1-7H3,(H,37,41)/t23-,24-,33+/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-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide?

5-[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide has a molecular weight of 601.86 g/mol, XLogP of 7.14, 12 rotatable bonds, 5 hydrogen bond donors, and 5 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-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 71209094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).