(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-N,4-dimethoxy-N,2-dimethylpentanamide

C25H37NO4Si — CID 11236116

IUPAC(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-N,4-dimethoxy-N,2-dimethylpentanamide
SMILESCO[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@H](C)C(=O)N(C)OC
InChIInChI=1S/C25H37NO4Si/c1-20(24(27)26(5)29-7)18-21(28-6)19-30-31(25(2,3)4,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,20-21H,18-19H2,1-7H3/t20-,21+/m0/s1
InChIKeyTUASWEHXQYBMGZ-LEWJYISDSA-N
MW443.66 g/mol
LogP3.62
Rot. Bonds10

About (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-N,4-dimethoxy-N,2-dimethylpentanamide

(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-N,4-dimethoxy-N,2-dimethylpentanamide (PubChem CID 11236116) has the molecular formula C25H37NO4Si and a molecular weight of 443.66 g/mol. Its IUPAC name is (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-N,4-dimethoxy-N,2-dimethylpentanamide.

Molecular Properties

Compound Name(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-N,4-dimethoxy-N,2-dimethylpentanamide
PubChem CID11236116
Molecular FormulaC25H37NO4Si
Molecular Weight443.66 g/mol
Exact Mass443.25
IUPAC Name(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-N,4-dimethoxy-N,2-dimethylpentanamide
SMILESCO[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@H](C)C(=O)N(C)OC
InChIInChI=1S/C25H37NO4Si/c1-20(24(27)26(5)29-7)18-21(28-6)19-30-31(25(2,3)4,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,20-21H,18-19H2,1-7H3/t20-,21+/m0/s1
InChIKeyTUASWEHXQYBMGZ-LEWJYISDSA-N
XLogP3.62
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.66
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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,4-dimethoxy-N,2-dimethylpentanamide?
The IUPAC name of (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-N,4-dimethoxy-N,2-dimethylpentanamide (CID 11236116) is (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-N,4-dimethoxy-N,2-dimethylpentanamide.
What is the SMILES notation for (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-N,4-dimethoxy-N,2-dimethylpentanamide?
The canonical SMILES for (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-N,4-dimethoxy-N,2-dimethylpentanamide is CO[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@H](C)C(=O)N(C)OC.
What is the InChIKey of (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-N,4-dimethoxy-N,2-dimethylpentanamide?
The InChIKey is TUASWEHXQYBMGZ-LEWJYISDSA-N. The full InChI is InChI=1S/C25H37NO4Si/c1-20(24(27)26(5)29-7)18-21(28-6)19-30-31(25(2,3)4,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,20-21H,18-19H2,1-7H3/t20-,21+/m0/s1.
What are the key properties of (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-N,4-dimethoxy-N,2-dimethylpentanamide?
(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-N,4-dimethoxy-N,2-dimethylpentanamide has a molecular weight of 443.66 g/mol, XLogP of 3.62, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-N,4-dimethoxy-N,2-dimethylpentanamide is sourced from PubChem (CID 11236116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).