3-acetamidopropyl(triphenyl)phosphanium

C23H25NOP+ — CID 89191881

IUPAC3-acetamidopropyl(triphenyl)phosphanium
SMILESCC(=O)NCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24NOP/c1-20(25)24-18-11-19-26(21-12-5-2-6-13-21,22-14-7-3-8-15-22)23-16-9-4-10-17-23/h2-10,12-17H,11,18-19H2,1H3/p+1
InChIKeyAPAPHELTFXOIDN-UHFFFAOYSA-O
MW362.43 g/mol
LogP3.51
Rot. Bonds7

About 3-acetamidopropyl(triphenyl)phosphanium

3-acetamidopropyl(triphenyl)phosphanium (PubChem CID 89191881) has the molecular formula C23H25NOP+ and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-acetamidopropyl(triphenyl)phosphanium.

Molecular Properties

Compound Name3-acetamidopropyl(triphenyl)phosphanium
PubChem CID89191881
Molecular FormulaC23H25NOP+
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name3-acetamidopropyl(triphenyl)phosphanium
SMILESCC(=O)NCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24NOP/c1-20(25)24-18-11-19-26(21-12-5-2-6-13-21,22-14-7-3-8-15-22)23-16-9-4-10-17-23/h2-10,12-17H,11,18-19H2,1H3/p+1
InChIKeyAPAPHELTFXOIDN-UHFFFAOYSA-O
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-acetamidopropyl(triphenyl)phosphanium?
The IUPAC name of 3-acetamidopropyl(triphenyl)phosphanium (CID 89191881) is 3-acetamidopropyl(triphenyl)phosphanium.
What is the SMILES notation for 3-acetamidopropyl(triphenyl)phosphanium?
The canonical SMILES for 3-acetamidopropyl(triphenyl)phosphanium is CC(=O)NCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-acetamidopropyl(triphenyl)phosphanium?
The InChIKey is APAPHELTFXOIDN-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H24NOP/c1-20(25)24-18-11-19-26(21-12-5-2-6-13-21,22-14-7-3-8-15-22)23-16-9-4-10-17-23/h2-10,12-17H,11,18-19H2,1H3/p+1.
What are the key properties of 3-acetamidopropyl(triphenyl)phosphanium?
3-acetamidopropyl(triphenyl)phosphanium has a molecular weight of 362.43 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamidopropyl(triphenyl)phosphanium is sourced from PubChem (CID 89191881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).