3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclobutane-1-carboxamide

C23H31NO3Si — CID 86634349

IUPAC3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclobutane-1-carboxamide
SMILESCON(C)C(=O)C1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C23H31NO3Si/c1-23(2,3)28(20-12-8-6-9-13-20,21-14-10-7-11-15-21)27-19-16-18(17-19)22(25)24(4)26-5/h6-15,18-19H,16-17H2,1-5H3
InChIKeyVXGIAXBQWUPNTE-UHFFFAOYSA-N
MW397.59 g/mol
LogP3.36
Rot. Bonds6

About 3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclobutane-1-carboxamide

3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclobutane-1-carboxamide (PubChem CID 86634349) has the molecular formula C23H31NO3Si and a molecular weight of 397.59 g/mol. Its IUPAC name is 3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclobutane-1-carboxamide
PubChem CID86634349
Molecular FormulaC23H31NO3Si
Molecular Weight397.59 g/mol
Exact Mass397.21
IUPAC Name3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclobutane-1-carboxamide
SMILESCON(C)C(=O)C1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C23H31NO3Si/c1-23(2,3)28(20-12-8-6-9-13-20,21-14-10-7-11-15-21)27-19-16-18(17-19)22(25)24(4)26-5/h6-15,18-19H,16-17H2,1-5H3
InChIKeyVXGIAXBQWUPNTE-UHFFFAOYSA-N
XLogP3.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.59
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 3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclobutane-1-carboxamide?
The IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclobutane-1-carboxamide (CID 86634349) is 3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for 3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclobutane-1-carboxamide is CON(C)C(=O)C1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.
What is the InChIKey of 3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclobutane-1-carboxamide?
The InChIKey is VXGIAXBQWUPNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3Si/c1-23(2,3)28(20-12-8-6-9-13-20,21-14-10-7-11-15-21)27-19-16-18(17-19)22(25)24(4)26-5/h6-15,18-19H,16-17H2,1-5H3.
What are the key properties of 3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclobutane-1-carboxamide?
3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclobutane-1-carboxamide has a molecular weight of 397.59 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 86634349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).