ethyl 5-[(2R)-2-[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[3-(hydroxymethyl)-4-phenylmethoxyphenyl]ethyl]amino]propyl]-1-ethylindole-2-carboxylate

C38H52N2O5Si — CID 69109237

About ethyl 5-[(2R)-2-[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[3-(hydroxymethyl)-4-phenylmethoxyphenyl]ethyl]amino]propyl]-1-ethylindole-2-carboxylate

ethyl 5-[(2R)-2-[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[3-(hydroxymethyl)-4-phenylmethoxyphenyl]ethyl]amino]propyl]-1-ethylindole-2-carboxylate (PubChem CID 69109237) has the molecular formula C38H52N2O5Si and a molecular weight of 644.93 g/mol. Its IUPAC name is ethyl 5-[(2R)-2-[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[3-(hydroxymethyl)-4-phenylmethoxyphenyl]ethyl]amino]propyl]-1-ethylindole-2-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-[(2R)-2-[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[3-(hydroxymethyl)-4-phenylmethoxyphenyl]ethyl]amino]propyl]-1-ethylindole-2-carboxylate
• PubChem CID: 69109237
• Molecular Formula: C38H52N2O5Si
• Molecular Weight: 644.93 g/mol
• Exact Mass: 644.36
• IUPAC Name: ethyl 5-[(2R)-2-[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[3-(hydroxymethyl)-4-phenylmethoxyphenyl]ethyl]amino]propyl]-1-ethylindole-2-carboxylate
• SMILES: CCOC(=O)c1cc2cc(C[C@@H](C)NC[C@@H](O[Si](C)(C)C(C)(C)C)c3ccc(OCc4ccccc4)c(CO)c3)ccc2n1CC
• InChI: InChI=1S/C38H52N2O5Si/c1-9-40-33-18-16-29(21-31(33)23-34(40)37(42)43-10-2)20-27(3)39-24-36(45-46(7,8)38(4,5)6)30-17-19-35(32(22-30)25-41)44-26-28-14-12-11-13-15-28/h11-19,21-23,27,36,39,41H,9-10,20,24-26H2,1-8H3/t27-,36-/m1/s1
• InChIKey: UKVQEYZKGUWIQC-CXNHSUMOSA-N
• XLogP: 8.19
• TPSA: 81.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	644.93
LogP ≤ 5	8.19
H-Bond Donors ≤ 5	2
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 ethyl 5-[(2R)-2-[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[3-(hydroxymethyl)-4-phenylmethoxyphenyl]ethyl]amino]propyl]-1-ethylindole-2-carboxylate?

The IUPAC name of ethyl 5-[(2R)-2-[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[3-(hydroxymethyl)-4-phenylmethoxyphenyl]ethyl]amino]propyl]-1-ethylindole-2-carboxylate (CID 69109237) is ethyl 5-[(2R)-2-[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[3-(hydroxymethyl)-4-phenylmethoxyphenyl]ethyl]amino]propyl]-1-ethylindole-2-carboxylate.

What is the SMILES notation for ethyl 5-[(2R)-2-[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[3-(hydroxymethyl)-4-phenylmethoxyphenyl]ethyl]amino]propyl]-1-ethylindole-2-carboxylate?

The canonical SMILES for ethyl 5-[(2R)-2-[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[3-(hydroxymethyl)-4-phenylmethoxyphenyl]ethyl]amino]propyl]-1-ethylindole-2-carboxylate is CCOC(=O)c1cc2cc(C[C@@H](C)NC[C@@H](O[Si](C)(C)C(C)(C)C)c3ccc(OCc4ccccc4)c(CO)c3)ccc2n1CC.

What is the InChIKey of ethyl 5-[(2R)-2-[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[3-(hydroxymethyl)-4-phenylmethoxyphenyl]ethyl]amino]propyl]-1-ethylindole-2-carboxylate?

The InChIKey is UKVQEYZKGUWIQC-CXNHSUMOSA-N. The full InChI is InChI=1S/C38H52N2O5Si/c1-9-40-33-18-16-29(21-31(33)23-34(40)37(42)43-10-2)20-27(3)39-24-36(45-46(7,8)38(4,5)6)30-17-19-35(32(22-30)25-41)44-26-28-14-12-11-13-15-28/h11-19,21-23,27,36,39,41H,9-10,20,24-26H2,1-8H3/t27-,36-/m1/s1.

What are the key properties of ethyl 5-[(2R)-2-[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[3-(hydroxymethyl)-4-phenylmethoxyphenyl]ethyl]amino]propyl]-1-ethylindole-2-carboxylate?

ethyl 5-[(2R)-2-[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[3-(hydroxymethyl)-4-phenylmethoxyphenyl]ethyl]amino]propyl]-1-ethylindole-2-carboxylate has a molecular weight of 644.93 g/mol, XLogP of 8.19, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-[(2R)-2-[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[3-(hydroxymethyl)-4-phenylmethoxyphenyl]ethyl]amino]propyl]-1-ethylindole-2-carboxylate is sourced from PubChem (CID 69109237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).