Diphenylphosphanyl N,N-diethylcarbamate

C₁₇H₂₀NO₂P — CID 12793809

About Diphenylphosphanyl N,N-diethylcarbamate

Diphenylphosphanyl N,N-diethylcarbamate (PubChem CID 12793809) has the molecular formula C₁₇H₂₀NO₂P and a molecular weight of 301.33 g/mol. Its IUPAC name is diphenylphosphanyl N,N-diethylcarbamate.

Molecular Properties

• Compound Name: Diphenylphosphanyl N,N-diethylcarbamate
• PubChem CID: 12793809
• Molecular Formula: C₁₇H₂₀NO₂P
• Molecular Weight: 301.33 g/mol
• Exact Mass: 301.12
• IUPAC Name: diphenylphosphanyl N,N-diethylcarbamate
• SMILES: CCN(CC)C(=O)OP(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C17H20NO2P/c1-3-18(4-2)17(19)20-21(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
• InChIKey: NCBNGFFLDUCWRI-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 29.54 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	301.33
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Diphenylphosphanyl N,N-diethylcarbamate?

The IUPAC name of Diphenylphosphanyl N,N-diethylcarbamate (CID 12793809) is diphenylphosphanyl N,N-diethylcarbamate.

What is the SMILES notation for Diphenylphosphanyl N,N-diethylcarbamate?

The canonical SMILES for Diphenylphosphanyl N,N-diethylcarbamate is CCN(CC)C(=O)OP(c1ccccc1)c1ccccc1.

What is the InChIKey of Diphenylphosphanyl N,N-diethylcarbamate?

The InChIKey is NCBNGFFLDUCWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20NO2P/c1-3-18(4-2)17(19)20-21(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3.

What are the key properties of Diphenylphosphanyl N,N-diethylcarbamate?

Diphenylphosphanyl N,N-diethylcarbamate has a molecular weight of 301.33 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Diphenylphosphanyl N,N-diethylcarbamate is sourced from PubChem (CID 12793809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 12793809 — identifiers, structure, computed properties (public domain)

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