N-ethyl-N-triphenylphosphaniumylcarbamate

C21H20NO2P — CID 87554010

IUPACN-ethyl-N-triphenylphosphaniumylcarbamate
SMILESCCN(C(=O)[O-])[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20NO2P/c1-2-22(21(23)24)25(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H3
InChIKeyMIZBPDTZEMVUHO-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.56
Rot. Bonds5

About N-ethyl-N-triphenylphosphaniumylcarbamate

N-ethyl-N-triphenylphosphaniumylcarbamate (PubChem CID 87554010) has the molecular formula C21H20NO2P and a molecular weight of 349.37 g/mol. Its IUPAC name is N-ethyl-N-triphenylphosphaniumylcarbamate.

Molecular Properties

Compound NameN-ethyl-N-triphenylphosphaniumylcarbamate
PubChem CID87554010
Molecular FormulaC21H20NO2P
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC NameN-ethyl-N-triphenylphosphaniumylcarbamate
SMILESCCN(C(=O)[O-])[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20NO2P/c1-2-22(21(23)24)25(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H3
InChIKeyMIZBPDTZEMVUHO-UHFFFAOYSA-N
XLogP2.56
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-triphenylphosphaniumylcarbamate?
The IUPAC name of N-ethyl-N-triphenylphosphaniumylcarbamate (CID 87554010) is N-ethyl-N-triphenylphosphaniumylcarbamate.
What is the SMILES notation for N-ethyl-N-triphenylphosphaniumylcarbamate?
The canonical SMILES for N-ethyl-N-triphenylphosphaniumylcarbamate is CCN(C(=O)[O-])[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-ethyl-N-triphenylphosphaniumylcarbamate?
The InChIKey is MIZBPDTZEMVUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20NO2P/c1-2-22(21(23)24)25(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H3.
What are the key properties of N-ethyl-N-triphenylphosphaniumylcarbamate?
N-ethyl-N-triphenylphosphaniumylcarbamate has a molecular weight of 349.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-triphenylphosphaniumylcarbamate is sourced from PubChem (CID 87554010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).