1,3-diphenyl-1-triethylsilylurea

C19H26N2OSi — CID 21314542

IUPAC1,3-diphenyl-1-triethylsilylurea
SMILESCC[Si](CC)(CC)N(C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C19H26N2OSi/c1-4-23(5-2,6-3)21(18-15-11-8-12-16-18)19(22)20-17-13-9-7-10-14-17/h7-16H,4-6H2,1-3H3,(H,20,22)
InChIKeyZSNWHUWUQPHFPR-UHFFFAOYSA-N
MW326.52 g/mol
LogP5.73
Rot. Bonds6

About 1,3-diphenyl-1-triethylsilylurea

1,3-diphenyl-1-triethylsilylurea (PubChem CID 21314542) has the molecular formula C19H26N2OSi and a molecular weight of 326.52 g/mol. Its IUPAC name is 1,3-diphenyl-1-triethylsilylurea.

Molecular Properties

Compound Name1,3-diphenyl-1-triethylsilylurea
PubChem CID21314542
Molecular FormulaC19H26N2OSi
Molecular Weight326.52 g/mol
Exact Mass326.18
IUPAC Name1,3-diphenyl-1-triethylsilylurea
SMILESCC[Si](CC)(CC)N(C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C19H26N2OSi/c1-4-23(5-2,6-3)21(18-15-11-8-12-16-18)19(22)20-17-13-9-7-10-14-17/h7-16H,4-6H2,1-3H3,(H,20,22)
InChIKeyZSNWHUWUQPHFPR-UHFFFAOYSA-N
XLogP5.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1,3-diphenyl-1-triethylsilylurea?
The IUPAC name of 1,3-diphenyl-1-triethylsilylurea (CID 21314542) is 1,3-diphenyl-1-triethylsilylurea.
What is the SMILES notation for 1,3-diphenyl-1-triethylsilylurea?
The canonical SMILES for 1,3-diphenyl-1-triethylsilylurea is CC[Si](CC)(CC)N(C(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of 1,3-diphenyl-1-triethylsilylurea?
The InChIKey is ZSNWHUWUQPHFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2OSi/c1-4-23(5-2,6-3)21(18-15-11-8-12-16-18)19(22)20-17-13-9-7-10-14-17/h7-16H,4-6H2,1-3H3,(H,20,22).
What are the key properties of 1,3-diphenyl-1-triethylsilylurea?
1,3-diphenyl-1-triethylsilylurea has a molecular weight of 326.52 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-1-triethylsilylurea is sourced from PubChem (CID 21314542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).