3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxamide

C20H26N2O2Si — CID 22242839

IUPAC3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxamide
SMILESCC(C)(C)[Si](OC1CN(C(N)=O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26N2O2Si/c1-20(2,3)25(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-16-14-22(15-16)19(21)23/h4-13,16H,14-15H2,1-3H3,(H2,21,23)
InChIKeyYKXCIBQAWKVKJW-UHFFFAOYSA-N
MW354.53 g/mol
LogP2.33
Rot. Bonds4

About 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxamide

3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxamide (PubChem CID 22242839) has the molecular formula C20H26N2O2Si and a molecular weight of 354.53 g/mol. Its IUPAC name is 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxamide.

Molecular Properties

Compound Name3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxamide
PubChem CID22242839
Molecular FormulaC20H26N2O2Si
Molecular Weight354.53 g/mol
Exact Mass354.18
IUPAC Name3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxamide
SMILESCC(C)(C)[Si](OC1CN(C(N)=O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26N2O2Si/c1-20(2,3)25(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-16-14-22(15-16)19(21)23/h4-13,16H,14-15H2,1-3H3,(H2,21,23)
InChIKeyYKXCIBQAWKVKJW-UHFFFAOYSA-N
XLogP2.33
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.53
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxamide?
The IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxamide (CID 22242839) is 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxamide.
What is the SMILES notation for 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxamide?
The canonical SMILES for 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxamide is CC(C)(C)[Si](OC1CN(C(N)=O)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxamide?
The InChIKey is YKXCIBQAWKVKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2Si/c1-20(2,3)25(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-16-14-22(15-16)19(21)23/h4-13,16H,14-15H2,1-3H3,(H2,21,23).
What are the key properties of 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxamide?
3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxamide has a molecular weight of 354.53 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxamide is sourced from PubChem (CID 22242839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).