(1-acetamido-2-methoxy-2-oxoethyl)-triphenylphosphanium

C23H23NO3P+ — CID 11202417

IUPAC(1-acetamido-2-methoxy-2-oxoethyl)-triphenylphosphanium
SMILESCOC(=O)C(NC(C)=O)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22NO3P/c1-18(25)24-22(23(26)27-2)28(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22H,1-2H3/p+1
InChIKeySYRDLEQHNBJADF-UHFFFAOYSA-O
MW392.42 g/mol
LogP2.62
Rot. Bonds6

About (1-acetamido-2-methoxy-2-oxoethyl)-triphenylphosphanium

(1-acetamido-2-methoxy-2-oxoethyl)-triphenylphosphanium (PubChem CID 11202417) has the molecular formula C23H23NO3P+ and a molecular weight of 392.42 g/mol. Its IUPAC name is (1-acetamido-2-methoxy-2-oxoethyl)-triphenylphosphanium.

Molecular Properties

Compound Name(1-acetamido-2-methoxy-2-oxoethyl)-triphenylphosphanium
PubChem CID11202417
Molecular FormulaC23H23NO3P+
Molecular Weight392.42 g/mol
Exact Mass392.14
IUPAC Name(1-acetamido-2-methoxy-2-oxoethyl)-triphenylphosphanium
SMILESCOC(=O)C(NC(C)=O)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22NO3P/c1-18(25)24-22(23(26)27-2)28(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22H,1-2H3/p+1
InChIKeySYRDLEQHNBJADF-UHFFFAOYSA-O
XLogP2.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1-acetamido-2-methoxy-2-oxoethyl)-triphenylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-benzamido-2-methoxy-2-oxoethyl)-triphenylphosphanium bromide
CID 11432604
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
(2-methoxy-2-oxo-1-phenylethyl)-triphenylphosphanium bromide
CID 19797774
methyl (2S,3R)-2-acetamido-3-(4-chlorophenyl)-3-phenylpropanoate
CID 162402185
methyl 2-acetamido-4-ethyl-3-phenylhexanoate
CID 85321757
methyl (2S,3R)-2-acetamido-3-(3,5-dimethylphenyl)-3-phenylpropanoate
CID 162402186
methyl (2S,3R)-3-acetamido-2-methyl-3-phenylpropanoate
CID 101468384
iodo (2S)-2-acetamido-3,3-diphenylpropanoate
CID 71157031
methyl (E,2R,3S)-2-acetamido-3-ethyl-5-phenylpent-4-enoate
CID 15408383
methyl (E,2S,3R)-2-acetamido-3-[dimethyl(phenyl)silyl]hex-4-enoate
CID 10358596
methyl (2S,3R)-2-acetamido-2,3-dideuterio-3-phenylpropanoate
CID 11368070
ethane;methyl 2-acetamido-3-phenylpropanoate;N-methylmethanamine
CID 91439308

Frequently Asked Questions

What is the IUPAC name of (1-acetamido-2-methoxy-2-oxoethyl)-triphenylphosphanium?
The IUPAC name of (1-acetamido-2-methoxy-2-oxoethyl)-triphenylphosphanium (CID 11202417) is (1-acetamido-2-methoxy-2-oxoethyl)-triphenylphosphanium.
What is the SMILES notation for (1-acetamido-2-methoxy-2-oxoethyl)-triphenylphosphanium?
The canonical SMILES for (1-acetamido-2-methoxy-2-oxoethyl)-triphenylphosphanium is COC(=O)C(NC(C)=O)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1-acetamido-2-methoxy-2-oxoethyl)-triphenylphosphanium?
The InChIKey is SYRDLEQHNBJADF-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H22NO3P/c1-18(25)24-22(23(26)27-2)28(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22H,1-2H3/p+1.
What are the key properties of (1-acetamido-2-methoxy-2-oxoethyl)-triphenylphosphanium?
(1-acetamido-2-methoxy-2-oxoethyl)-triphenylphosphanium has a molecular weight of 392.42 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetamido-2-methoxy-2-oxoethyl)-triphenylphosphanium is sourced from PubChem (CID 11202417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).