[(E)-2-[benzoyl(methyl)amino]ethenyl]-triphenylphosphanium

C28H25NOP+ — CID 101142872

IUPAC[(E)-2-[benzoyl(methyl)amino]ethenyl]-triphenylphosphanium
SMILESCN(/C=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C28H25NOP/c1-29(28(30)24-14-6-2-7-15-24)22-23-31(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-23H,1H3/q+1/b23-22+
InChIKeyUMBCNNOMMCOOBE-GHVJWSGMSA-N
MW422.49 g/mol
LogP5.22
Rot. Bonds6

About [(E)-2-[benzoyl(methyl)amino]ethenyl]-triphenylphosphanium

[(E)-2-[benzoyl(methyl)amino]ethenyl]-triphenylphosphanium (PubChem CID 101142872) has the molecular formula C28H25NOP+ and a molecular weight of 422.49 g/mol. Its IUPAC name is [(E)-2-[benzoyl(methyl)amino]ethenyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(E)-2-[benzoyl(methyl)amino]ethenyl]-triphenylphosphanium
PubChem CID101142872
Molecular FormulaC28H25NOP+
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC Name[(E)-2-[benzoyl(methyl)amino]ethenyl]-triphenylphosphanium
SMILESCN(/C=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C28H25NOP/c1-29(28(30)24-14-6-2-7-15-24)22-23-31(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-23H,1H3/q+1/b23-22+
InChIKeyUMBCNNOMMCOOBE-GHVJWSGMSA-N
XLogP5.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.49
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E)-2-(dimethylamino)ethenyl]-triphenylphosphanium
CID 11079101
CID 102012562
CID 102012562
[(Z)-1-[benzoyl(methyl)amino]-2-(dimethylamino)ethenyl]-triphenylphosphanium
CID 45129074
[(E)-2-carboxyethenyl]-triphenylphosphanium
CID 6332531
benzoyl(methyl)carbamic acid;hydrochloride
CID 70634624
(3S)-3-[benzoyl(methyl)amino]butanoic acid
CID 98014257
4-benzoyl-N,N-dimethylbenzamide
CID 12779824
N-methyl-N-(1-oxo-1-phenylpropan-2-yl)benzamide
CID 11119051
N-methyl-N-propan-2-yloxybenzamide
CID 89406419
N-(2-aminoethyl)-N-methylbenzamide
CID 28707416
N-[hydroxy(phenyl)methyl]-N-methylbenzamide
CID 134892565
N,N-dibenzoylcarbamoyl chloride
CID 151011210

Frequently Asked Questions

What is the IUPAC name of [(E)-2-[benzoyl(methyl)amino]ethenyl]-triphenylphosphanium?
The IUPAC name of [(E)-2-[benzoyl(methyl)amino]ethenyl]-triphenylphosphanium (CID 101142872) is [(E)-2-[benzoyl(methyl)amino]ethenyl]-triphenylphosphanium.
What is the SMILES notation for [(E)-2-[benzoyl(methyl)amino]ethenyl]-triphenylphosphanium?
The canonical SMILES for [(E)-2-[benzoyl(methyl)amino]ethenyl]-triphenylphosphanium is CN(/C=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of [(E)-2-[benzoyl(methyl)amino]ethenyl]-triphenylphosphanium?
The InChIKey is UMBCNNOMMCOOBE-GHVJWSGMSA-N. The full InChI is InChI=1S/C28H25NOP/c1-29(28(30)24-14-6-2-7-15-24)22-23-31(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-23H,1H3/q+1/b23-22+.
What are the key properties of [(E)-2-[benzoyl(methyl)amino]ethenyl]-triphenylphosphanium?
[(E)-2-[benzoyl(methyl)amino]ethenyl]-triphenylphosphanium has a molecular weight of 422.49 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-[benzoyl(methyl)amino]ethenyl]-triphenylphosphanium is sourced from PubChem (CID 101142872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).