(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N,2,4-trimethylpentanamide

C38H47NO3Si — CID 140703082

IUPAC(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N,2,4-trimethylpentanamide
SMILESC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@H](C)C(=O)N(C)[C@H](c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C38H47NO3Si/c1-29(28-42-43(38(3,4)5,33-23-15-9-16-24-33)34-25-17-10-18-26-34)27-30(2)37(41)39(6)35(31-19-11-7-12-20-31)36(40)32-21-13-8-14-22-32/h7-26,29-30,35-36,40H,27-28H2,1-6H3/t29-,30+,35-,36-/m1/s1
InChIKeyGLFCXQVRFUCDMZ-ANCUJIGRSA-N
MW593.88 g/mol
LogP7.16
Rot. Bonds12

About (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N,2,4-trimethylpentanamide

(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N,2,4-trimethylpentanamide (PubChem CID 140703082) has the molecular formula C38H47NO3Si and a molecular weight of 593.88 g/mol. Its IUPAC name is (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N,2,4-trimethylpentanamide.

Molecular Properties

Compound Name(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N,2,4-trimethylpentanamide
PubChem CID140703082
Molecular FormulaC38H47NO3Si
Molecular Weight593.88 g/mol
Exact Mass593.33
IUPAC Name(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N,2,4-trimethylpentanamide
SMILESC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@H](C)C(=O)N(C)[C@H](c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C38H47NO3Si/c1-29(28-42-43(38(3,4)5,33-23-15-9-16-24-33)34-25-17-10-18-26-34)27-30(2)37(41)39(6)35(31-19-11-7-12-20-31)36(40)32-21-13-8-14-22-32/h7-26,29-30,35-36,40H,27-28H2,1-6H3/t29-,30+,35-,36-/m1/s1
InChIKeyGLFCXQVRFUCDMZ-ANCUJIGRSA-N
XLogP7.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.88
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N,2,4-trimethylpentanamide?
The IUPAC name of (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N,2,4-trimethylpentanamide (CID 140703082) is (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N,2,4-trimethylpentanamide.
What is the SMILES notation for (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N,2,4-trimethylpentanamide?
The canonical SMILES for (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N,2,4-trimethylpentanamide is C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@H](C)C(=O)N(C)[C@H](c1ccccc1)[C@H](O)c1ccccc1.
What is the InChIKey of (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N,2,4-trimethylpentanamide?
The InChIKey is GLFCXQVRFUCDMZ-ANCUJIGRSA-N. The full InChI is InChI=1S/C38H47NO3Si/c1-29(28-42-43(38(3,4)5,33-23-15-9-16-24-33)34-25-17-10-18-26-34)27-30(2)37(41)39(6)35(31-19-11-7-12-20-31)36(40)32-21-13-8-14-22-32/h7-26,29-30,35-36,40H,27-28H2,1-6H3/t29-,30+,35-,36-/m1/s1.
What are the key properties of (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N,2,4-trimethylpentanamide?
(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N,2,4-trimethylpentanamide has a molecular weight of 593.88 g/mol, XLogP of 7.16, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N,2,4-trimethylpentanamide is sourced from PubChem (CID 140703082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).