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

C22H31NO3Si — CID 11485968

IUPAC4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbutanamide
SMILESCON(C)C(=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H31NO3Si/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,12,17-18H2,1-5H3
InChIKeyWJTIIIQUSUCMCF-UHFFFAOYSA-N
MW385.58 g/mol
LogP3.36
Rot. Bonds8

About 4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbutanamide

4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbutanamide (PubChem CID 11485968) has the molecular formula C22H31NO3Si and a molecular weight of 385.58 g/mol. Its IUPAC name is 4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbutanamide.

Molecular Properties

Compound Name4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbutanamide
PubChem CID11485968
Molecular FormulaC22H31NO3Si
Molecular Weight385.58 g/mol
Exact Mass385.21
IUPAC Name4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbutanamide
SMILESCON(C)C(=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H31NO3Si/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,12,17-18H2,1-5H3
InChIKeyWJTIIIQUSUCMCF-UHFFFAOYSA-N
XLogP3.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbutanamide?
The IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbutanamide (CID 11485968) is 4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbutanamide.
What is the SMILES notation for 4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbutanamide?
The canonical SMILES for 4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbutanamide is CON(C)C(=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbutanamide?
The InChIKey is WJTIIIQUSUCMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO3Si/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,12,17-18H2,1-5H3.
What are the key properties of 4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbutanamide?
4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbutanamide has a molecular weight of 385.58 g/mol, XLogP of 3.36, 8 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-methylbutanamide is sourced from PubChem (CID 11485968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).