2-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbutanamide

C22H31NO3Si — CID 59549978

IUPAC2-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbutanamide
SMILESCCC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)N(C)OC
InChIInChI=1S/C22H31NO3Si/c1-7-20(21(24)23(5)25-6)26-27(22(2,3)4,18-14-10-8-11-15-18)19-16-12-9-13-17-19/h8-17,20H,7H2,1-6H3
InChIKeyMZFWVCUUYMZUEU-UHFFFAOYSA-N
MW385.58 g/mol
LogP3.36
Rot. Bonds7

About 2-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbutanamide

2-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbutanamide (PubChem CID 59549978) has the molecular formula C22H31NO3Si and a molecular weight of 385.58 g/mol. Its IUPAC name is 2-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbutanamide.

Molecular Properties

Compound Name2-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbutanamide
PubChem CID59549978
Molecular FormulaC22H31NO3Si
Molecular Weight385.58 g/mol
Exact Mass385.21
IUPAC Name2-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbutanamide
SMILESCCC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)N(C)OC
InChIInChI=1S/C22H31NO3Si/c1-7-20(21(24)23(5)25-6)26-27(22(2,3)4,18-14-10-8-11-15-18)19-16-12-9-13-17-19/h8-17,20H,7H2,1-6H3
InChIKeyMZFWVCUUYMZUEU-UHFFFAOYSA-N
XLogP3.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.58
LogP ≤ 53.36
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbutanamide?
The IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbutanamide (CID 59549978) is 2-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbutanamide.
What is the SMILES notation for 2-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbutanamide?
The canonical SMILES for 2-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbutanamide is CCC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)N(C)OC.
What is the InChIKey of 2-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbutanamide?
The InChIKey is MZFWVCUUYMZUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO3Si/c1-7-20(21(24)23(5)25-6)26-27(22(2,3)4,18-14-10-8-11-15-18)19-16-12-9-13-17-19/h8-17,20H,7H2,1-6H3.
What are the key properties of 2-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbutanamide?
2-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbutanamide has a molecular weight of 385.58 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbutanamide is sourced from PubChem (CID 59549978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).