2-[3-[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]-N-[2-(4-ethylphenyl)ethyl]acetamide

C36H52N2O4Si — CID 68977739

About 2-[3-[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]-N-[2-(4-ethylphenyl)ethyl]acetamide

2-[3-[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]-N-[2-(4-ethylphenyl)ethyl]acetamide (PubChem CID 68977739) has the molecular formula C36H52N2O4Si and a molecular weight of 604.91 g/mol. Its IUPAC name is 2-[3-[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]-N-[2-(4-ethylphenyl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[3-[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]-N-[2-(4-ethylphenyl)ethyl]acetamide
• PubChem CID: 68977739
• Molecular Formula: C36H52N2O4Si
• Molecular Weight: 604.91 g/mol
• Exact Mass: 604.37
• IUPAC Name: 2-[3-[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]-N-[2-(4-ethylphenyl)ethyl]acetamide
• SMILES: CCc1ccc(CCNC(=O)Cc2cccc(C[C@@H](C)NC[C@H](O[Si](C)(C)C(C)(C)C)c3ccc(O)c(CO)c3)c2)cc1
• InChI: InChI=1S/C36H52N2O4Si/c1-8-27-12-14-28(15-13-27)18-19-37-35(41)22-30-11-9-10-29(21-30)20-26(2)38-24-34(42-43(6,7)36(3,4)5)31-16-17-33(40)32(23-31)25-39/h9-17,21,23,26,34,38-40H,8,18-20,22,24-25H2,1-7H3,(H,37,41)/t26-,34+/m1/s1
• InChIKey: UMPABELMHQZMPL-SFRLIIPVSA-N
• XLogP: 6.63
• TPSA: 90.82 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.91
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	4
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 2-[3-[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]-N-[2-(4-ethylphenyl)ethyl]acetamide?

The IUPAC name of 2-[3-[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]-N-[2-(4-ethylphenyl)ethyl]acetamide (CID 68977739) is 2-[3-[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]-N-[2-(4-ethylphenyl)ethyl]acetamide.

What is the SMILES notation for 2-[3-[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]-N-[2-(4-ethylphenyl)ethyl]acetamide?

The canonical SMILES for 2-[3-[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]-N-[2-(4-ethylphenyl)ethyl]acetamide is CCc1ccc(CCNC(=O)Cc2cccc(C[C@@H](C)NC[C@H](O[Si](C)(C)C(C)(C)C)c3ccc(O)c(CO)c3)c2)cc1.

What is the InChIKey of 2-[3-[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]-N-[2-(4-ethylphenyl)ethyl]acetamide?

The InChIKey is UMPABELMHQZMPL-SFRLIIPVSA-N. The full InChI is InChI=1S/C36H52N2O4Si/c1-8-27-12-14-28(15-13-27)18-19-37-35(41)22-30-11-9-10-29(21-30)20-26(2)38-24-34(42-43(6,7)36(3,4)5)31-16-17-33(40)32(23-31)25-39/h9-17,21,23,26,34,38-40H,8,18-20,22,24-25H2,1-7H3,(H,37,41)/t26-,34+/m1/s1.

What are the key properties of 2-[3-[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]-N-[2-(4-ethylphenyl)ethyl]acetamide?

2-[3-[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]-N-[2-(4-ethylphenyl)ethyl]acetamide has a molecular weight of 604.91 g/mol, XLogP of 6.63, 15 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]-N-[2-(4-ethylphenyl)ethyl]acetamide is sourced from PubChem (CID 68977739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).