4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbut-2-ynamide

C22H27NO3Si — CID 10249291

IUPAC4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbut-2-ynamide
SMILESCON(C)C(=O)C#CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H27NO3Si/c1-22(2,3)27(19-13-8-6-9-14-19,20-15-10-7-11-16-20)26-18-12-17-21(24)23(4)25-5/h6-11,13-16H,18H2,1-5H3
InChIKeyPMHGNZUGZIYZJJ-UHFFFAOYSA-N
MW381.55 g/mol
LogP2.59
Rot. Bonds5

About 4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbut-2-ynamide

4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbut-2-ynamide (PubChem CID 10249291) has the molecular formula C22H27NO3Si and a molecular weight of 381.55 g/mol. Its IUPAC name is 4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbut-2-ynamide.

Molecular Properties

Compound Name4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbut-2-ynamide
PubChem CID10249291
Molecular FormulaC22H27NO3Si
Molecular Weight381.55 g/mol
Exact Mass381.18
IUPAC Name4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbut-2-ynamide
SMILESCON(C)C(=O)C#CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H27NO3Si/c1-22(2,3)27(19-13-8-6-9-14-19,20-15-10-7-11-16-20)26-18-12-17-21(24)23(4)25-5/h6-11,13-16H,18H2,1-5H3
InChIKeyPMHGNZUGZIYZJJ-UHFFFAOYSA-N
XLogP2.59
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbut-2-ynamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbut-2-ynamide?
The IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbut-2-ynamide (CID 10249291) is 4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbut-2-ynamide.
What is the SMILES notation for 4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbut-2-ynamide?
The canonical SMILES for 4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbut-2-ynamide is CON(C)C(=O)C#CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbut-2-ynamide?
The InChIKey is PMHGNZUGZIYZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3Si/c1-22(2,3)27(19-13-8-6-9-14-19,20-15-10-7-11-16-20)26-18-12-17-21(24)23(4)25-5/h6-11,13-16H,18H2,1-5H3.
What are the key properties of 4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbut-2-ynamide?
4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbut-2-ynamide has a molecular weight of 381.55 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbut-2-ynamide is sourced from PubChem (CID 10249291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).