[2-[2-(2-azidoethoxy)ethylamino]-2-oxoethyl]-triphenylphosphanium

C24H26N4O2P+ — CID 118546480

IUPAC[2-[2-(2-azidoethoxy)ethylamino]-2-oxoethyl]-triphenylphosphanium
SMILES[N-]=[N+]=NCCOCCNC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25N4O2P/c25-28-27-17-19-30-18-16-26-24(29)20-31(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15H,16-20H2/p+1
InChIKeyLMCINRLWJDWTTA-UHFFFAOYSA-O
MW433.47 g/mol
LogP3.42
Rot. Bonds11

About [2-[2-(2-azidoethoxy)ethylamino]-2-oxoethyl]-triphenylphosphanium

[2-[2-(2-azidoethoxy)ethylamino]-2-oxoethyl]-triphenylphosphanium (PubChem CID 118546480) has the molecular formula C24H26N4O2P+ and a molecular weight of 433.47 g/mol. Its IUPAC name is [2-[2-(2-azidoethoxy)ethylamino]-2-oxoethyl]-triphenylphosphanium.

Molecular Properties

Compound Name[2-[2-(2-azidoethoxy)ethylamino]-2-oxoethyl]-triphenylphosphanium
PubChem CID118546480
Molecular FormulaC24H26N4O2P+
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Name[2-[2-(2-azidoethoxy)ethylamino]-2-oxoethyl]-triphenylphosphanium
SMILES[N-]=[N+]=NCCOCCNC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25N4O2P/c25-28-27-17-19-30-18-16-26-24(29)20-31(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15H,16-20H2/p+1
InChIKeyLMCINRLWJDWTTA-UHFFFAOYSA-O
XLogP3.42
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-azidoethoxy)ethylamino]-2-oxoethyl]-triphenylphosphanium?
The IUPAC name of [2-[2-(2-azidoethoxy)ethylamino]-2-oxoethyl]-triphenylphosphanium (CID 118546480) is [2-[2-(2-azidoethoxy)ethylamino]-2-oxoethyl]-triphenylphosphanium.
What is the SMILES notation for [2-[2-(2-azidoethoxy)ethylamino]-2-oxoethyl]-triphenylphosphanium?
The canonical SMILES for [2-[2-(2-azidoethoxy)ethylamino]-2-oxoethyl]-triphenylphosphanium is [N-]=[N+]=NCCOCCNC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[2-(2-azidoethoxy)ethylamino]-2-oxoethyl]-triphenylphosphanium?
The InChIKey is LMCINRLWJDWTTA-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H25N4O2P/c25-28-27-17-19-30-18-16-26-24(29)20-31(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15H,16-20H2/p+1.
What are the key properties of [2-[2-(2-azidoethoxy)ethylamino]-2-oxoethyl]-triphenylphosphanium?
[2-[2-(2-azidoethoxy)ethylamino]-2-oxoethyl]-triphenylphosphanium has a molecular weight of 433.47 g/mol, XLogP of 3.42, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-azidoethoxy)ethylamino]-2-oxoethyl]-triphenylphosphanium is sourced from PubChem (CID 118546480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).