[tert-butyl(dimethyl)silyl] N-phenylbenzenecarboximidate

C19H25NOSi — CID 11197712

IUPAC[tert-butyl(dimethyl)silyl] N-phenylbenzenecarboximidate
SMILESCC(C)(C)[Si](C)(C)O/C(=N\c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NOSi/c1-19(2,3)22(4,5)21-18(16-12-8-6-9-13-16)20-17-14-10-7-11-15-17/h6-15H,1-5H3/b20-18-
InChIKeyCQKWSHDUCPVOAI-ZZEZOPTASA-N
MW311.50 g/mol
LogP5.79
Rot. Bonds3

About [tert-butyl(dimethyl)silyl] N-phenylbenzenecarboximidate

[tert-butyl(dimethyl)silyl] N-phenylbenzenecarboximidate (PubChem CID 11197712) has the molecular formula C19H25NOSi and a molecular weight of 311.50 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] N-phenylbenzenecarboximidate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] N-phenylbenzenecarboximidate
PubChem CID11197712
Molecular FormulaC19H25NOSi
Molecular Weight311.50 g/mol
Exact Mass311.17
IUPAC Name[tert-butyl(dimethyl)silyl] N-phenylbenzenecarboximidate
SMILESCC(C)(C)[Si](C)(C)O/C(=N\c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NOSi/c1-19(2,3)22(4,5)21-18(16-12-8-6-9-13-16)20-17-14-10-7-11-15-17/h6-15H,1-5H3/b20-18-
InChIKeyCQKWSHDUCPVOAI-ZZEZOPTASA-N
XLogP5.79
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.50
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] N-phenylbenzenecarboximidate?
The IUPAC name of [tert-butyl(dimethyl)silyl] N-phenylbenzenecarboximidate (CID 11197712) is [tert-butyl(dimethyl)silyl] N-phenylbenzenecarboximidate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] N-phenylbenzenecarboximidate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] N-phenylbenzenecarboximidate is CC(C)(C)[Si](C)(C)O/C(=N\c1ccccc1)c1ccccc1.
What is the InChIKey of [tert-butyl(dimethyl)silyl] N-phenylbenzenecarboximidate?
The InChIKey is CQKWSHDUCPVOAI-ZZEZOPTASA-N. The full InChI is InChI=1S/C19H25NOSi/c1-19(2,3)22(4,5)21-18(16-12-8-6-9-13-16)20-17-14-10-7-11-15-17/h6-15H,1-5H3/b20-18-.
What are the key properties of [tert-butyl(dimethyl)silyl] N-phenylbenzenecarboximidate?
[tert-butyl(dimethyl)silyl] N-phenylbenzenecarboximidate has a molecular weight of 311.50 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] N-phenylbenzenecarboximidate is sourced from PubChem (CID 11197712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).