N-[tert-butyl(diphenyl)silyl]oxy-N-methylprop-2-enamide

C20H25NO2Si — CID 10925830

IUPACN-[tert-butyl(diphenyl)silyl]oxy-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H25NO2Si/c1-6-19(22)21(5)23-24(20(2,3)4,17-13-9-7-10-14-17)18-15-11-8-12-16-18/h6-16H,1H2,2-5H3
InChIKeyYHSDWPTVVOETOH-UHFFFAOYSA-N
MW339.51 g/mol
LogP3.12
Rot. Bonds5

About N-[tert-butyl(diphenyl)silyl]oxy-N-methylprop-2-enamide

N-[tert-butyl(diphenyl)silyl]oxy-N-methylprop-2-enamide (PubChem CID 10925830) has the molecular formula C20H25NO2Si and a molecular weight of 339.51 g/mol. Its IUPAC name is N-[tert-butyl(diphenyl)silyl]oxy-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[tert-butyl(diphenyl)silyl]oxy-N-methylprop-2-enamide
PubChem CID10925830
Molecular FormulaC20H25NO2Si
Molecular Weight339.51 g/mol
Exact Mass339.17
IUPAC NameN-[tert-butyl(diphenyl)silyl]oxy-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H25NO2Si/c1-6-19(22)21(5)23-24(20(2,3)4,17-13-9-7-10-14-17)18-15-11-8-12-16-18/h6-16H,1H2,2-5H3
InChIKeyYHSDWPTVVOETOH-UHFFFAOYSA-N
XLogP3.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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 N-[tert-butyl(diphenyl)silyl]oxy-N-methylprop-2-enamide?
The IUPAC name of N-[tert-butyl(diphenyl)silyl]oxy-N-methylprop-2-enamide (CID 10925830) is N-[tert-butyl(diphenyl)silyl]oxy-N-methylprop-2-enamide.
What is the SMILES notation for N-[tert-butyl(diphenyl)silyl]oxy-N-methylprop-2-enamide?
The canonical SMILES for N-[tert-butyl(diphenyl)silyl]oxy-N-methylprop-2-enamide is C=CC(=O)N(C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of N-[tert-butyl(diphenyl)silyl]oxy-N-methylprop-2-enamide?
The InChIKey is YHSDWPTVVOETOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2Si/c1-6-19(22)21(5)23-24(20(2,3)4,17-13-9-7-10-14-17)18-15-11-8-12-16-18/h6-16H,1H2,2-5H3.
What are the key properties of N-[tert-butyl(diphenyl)silyl]oxy-N-methylprop-2-enamide?
N-[tert-butyl(diphenyl)silyl]oxy-N-methylprop-2-enamide has a molecular weight of 339.51 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butyl(diphenyl)silyl]oxy-N-methylprop-2-enamide is sourced from PubChem (CID 10925830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).