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

C20H26N2O2Si — CID 141054062

IUPAC2-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxamide
SMILESCC(C)(C)[Si](OC1CCN1C(N)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26N2O2Si/c1-20(2,3)25(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-18-14-15-22(18)19(21)23/h4-13,18H,14-15H2,1-3H3,(H2,21,23)
InChIKeyDGTBPZWBACSSFS-UHFFFAOYSA-N
MW354.53 g/mol
LogP2.67
Rot. Bonds4

About 2-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxamide

2-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxamide (PubChem CID 141054062) has the molecular formula C20H26N2O2Si and a molecular weight of 354.53 g/mol. Its IUPAC name is 2-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxamide.

Molecular Properties

Compound Name2-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxamide
PubChem CID141054062
Molecular FormulaC20H26N2O2Si
Molecular Weight354.53 g/mol
Exact Mass354.18
IUPAC Name2-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxamide
SMILESCC(C)(C)[Si](OC1CCN1C(N)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26N2O2Si/c1-20(2,3)25(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-18-14-15-22(18)19(21)23/h4-13,18H,14-15H2,1-3H3,(H2,21,23)
InChIKeyDGTBPZWBACSSFS-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
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 2-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxamide?
The IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxamide (CID 141054062) is 2-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxamide.
What is the SMILES notation for 2-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxamide?
The canonical SMILES for 2-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxamide is CC(C)(C)[Si](OC1CCN1C(N)=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxamide?
The InChIKey is DGTBPZWBACSSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2Si/c1-20(2,3)25(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-18-14-15-22(18)19(21)23/h4-13,18H,14-15H2,1-3H3,(H2,21,23).
What are the key properties of 2-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxamide?
2-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxamide has a molecular weight of 354.53 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(diphenyl)silyl]oxyazetidine-1-carboxamide is sourced from PubChem (CID 141054062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).