2-[2-[methyl(methylcarbamoyl)amino]ethoxy]ethyl-triphenylphosphanium

C25H30N2O2P+ — CID 118688441

IUPAC2-[2-[methyl(methylcarbamoyl)amino]ethoxy]ethyl-triphenylphosphanium
SMILESCNC(=O)N(C)CCOCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29N2O2P/c1-26-25(28)27(2)18-19-29-20-21-30(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17H,18-21H2,1-2H3/p+1
InChIKeyYQDLTDHFXCPTCT-UHFFFAOYSA-O
MW421.50 g/mol
LogP3.27
Rot. Bonds9

About 2-[2-[methyl(methylcarbamoyl)amino]ethoxy]ethyl-triphenylphosphanium

2-[2-[methyl(methylcarbamoyl)amino]ethoxy]ethyl-triphenylphosphanium (PubChem CID 118688441) has the molecular formula C25H30N2O2P+ and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-[2-[methyl(methylcarbamoyl)amino]ethoxy]ethyl-triphenylphosphanium.

Molecular Properties

Compound Name2-[2-[methyl(methylcarbamoyl)amino]ethoxy]ethyl-triphenylphosphanium
PubChem CID118688441
Molecular FormulaC25H30N2O2P+
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name2-[2-[methyl(methylcarbamoyl)amino]ethoxy]ethyl-triphenylphosphanium
SMILESCNC(=O)N(C)CCOCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29N2O2P/c1-26-25(28)27(2)18-19-29-20-21-30(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17H,18-21H2,1-2H3/p+1
InChIKeyYQDLTDHFXCPTCT-UHFFFAOYSA-O
XLogP3.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(methylcarbamoyl)amino]ethoxy]ethyl-triphenylphosphanium?
The IUPAC name of 2-[2-[methyl(methylcarbamoyl)amino]ethoxy]ethyl-triphenylphosphanium (CID 118688441) is 2-[2-[methyl(methylcarbamoyl)amino]ethoxy]ethyl-triphenylphosphanium.
What is the SMILES notation for 2-[2-[methyl(methylcarbamoyl)amino]ethoxy]ethyl-triphenylphosphanium?
The canonical SMILES for 2-[2-[methyl(methylcarbamoyl)amino]ethoxy]ethyl-triphenylphosphanium is CNC(=O)N(C)CCOCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2-[methyl(methylcarbamoyl)amino]ethoxy]ethyl-triphenylphosphanium?
The InChIKey is YQDLTDHFXCPTCT-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H29N2O2P/c1-26-25(28)27(2)18-19-29-20-21-30(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17H,18-21H2,1-2H3/p+1.
What are the key properties of 2-[2-[methyl(methylcarbamoyl)amino]ethoxy]ethyl-triphenylphosphanium?
2-[2-[methyl(methylcarbamoyl)amino]ethoxy]ethyl-triphenylphosphanium has a molecular weight of 421.50 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(methylcarbamoyl)amino]ethoxy]ethyl-triphenylphosphanium is sourced from PubChem (CID 118688441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).