[2-(2-methoxycarbonylanilino)-2-oxoethyl]-triphenylphosphanium chloride

C28H25ClNO3P — CID 88693193

IUPAC[2-(2-methoxycarbonylanilino)-2-oxoethyl]-triphenylphosphanium chloride
SMILESCOC(=O)c1ccccc1NC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C28H24NO3P.ClH/c1-32-28(31)25-19-11-12-20-26(25)29-27(30)21-33(22-13-5-2-6-14-22,23-15-7-3-8-16-23)24-17-9-4-10-18-24;/h2-20H,21H2,1H3;1H
InChIKeyBIUPIUWYMGXGPJ-UHFFFAOYSA-N
MW489.94 g/mol
LogP1.41
Rot. Bonds7

About [2-(2-methoxycarbonylanilino)-2-oxoethyl]-triphenylphosphanium chloride

[2-(2-methoxycarbonylanilino)-2-oxoethyl]-triphenylphosphanium chloride (PubChem CID 88693193) has the molecular formula C28H25ClNO3P and a molecular weight of 489.94 g/mol. Its IUPAC name is [2-(2-methoxycarbonylanilino)-2-oxoethyl]-triphenylphosphanium chloride.

Molecular Properties

Compound Name[2-(2-methoxycarbonylanilino)-2-oxoethyl]-triphenylphosphanium chloride
PubChem CID88693193
Molecular FormulaC28H25ClNO3P
Molecular Weight489.94 g/mol
Exact Mass489.13
IUPAC Name[2-(2-methoxycarbonylanilino)-2-oxoethyl]-triphenylphosphanium chloride
SMILESCOC(=O)c1ccccc1NC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C28H24NO3P.ClH/c1-32-28(31)25-19-11-12-20-26(25)29-27(30)21-33(22-13-5-2-6-14-22,23-15-7-3-8-16-23)24-17-9-4-10-18-24;/h2-20H,21H2,1H3;1H
InChIKeyBIUPIUWYMGXGPJ-UHFFFAOYSA-N
XLogP1.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.94
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-(2-methoxycarbonylanilino)-2-oxoethyl]-triphenylphosphanium chloride 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

methyl 2-[[2-(propan-2-ylamino)acetyl]amino]benzoate
CID 60640943
methyl 2-[3-(ethylamino)butanoylamino]benzoate
CID 62838261
(2R)-2-(benzylamino)-4-(2-methoxycarbonylanilino)-4-oxobutanoic acid
CID 2212217
methyl 2-[[2-(2,5-dimethylpyrrol-1-yl)acetyl]amino]benzoate
CID 935456
methyl 2-[[3-(butan-2-ylamino)-3-oxopropanoyl]amino]benzoate
CID 108941876
(2R)-4-(2-methoxycarbonylanilino)-4-oxo-2-(prop-2-enylamino)butanoic acid
CID 7592253
methyl 2-[[2-(1-phenylethylideneamino)oxyacetyl]amino]benzoate
CID 3533780
methyl 2-(7-aminoheptanoylamino)benzoate
CID 43579295
methyl 2-[[2-(4-fluorophenyl)acetyl]amino]benzoate
CID 798726
methyl 2-[[2-(cyanomethylsulfanyl)acetyl]amino]benzoate
CID 43431236
methyl 2-[[3-[2,6-di(propan-2-yl)anilino]-3-oxopropanoyl]amino]benzoate
CID 108956307
methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate
CID 1183013

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxycarbonylanilino)-2-oxoethyl]-triphenylphosphanium chloride?
The IUPAC name of [2-(2-methoxycarbonylanilino)-2-oxoethyl]-triphenylphosphanium chloride (CID 88693193) is [2-(2-methoxycarbonylanilino)-2-oxoethyl]-triphenylphosphanium chloride.
What is the SMILES notation for [2-(2-methoxycarbonylanilino)-2-oxoethyl]-triphenylphosphanium chloride?
The canonical SMILES for [2-(2-methoxycarbonylanilino)-2-oxoethyl]-triphenylphosphanium chloride is COC(=O)c1ccccc1NC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of [2-(2-methoxycarbonylanilino)-2-oxoethyl]-triphenylphosphanium chloride?
The InChIKey is BIUPIUWYMGXGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24NO3P.ClH/c1-32-28(31)25-19-11-12-20-26(25)29-27(30)21-33(22-13-5-2-6-14-22,23-15-7-3-8-16-23)24-17-9-4-10-18-24;/h2-20H,21H2,1H3;1H.
What are the key properties of [2-(2-methoxycarbonylanilino)-2-oxoethyl]-triphenylphosphanium chloride?
[2-(2-methoxycarbonylanilino)-2-oxoethyl]-triphenylphosphanium chloride has a molecular weight of 489.94 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxycarbonylanilino)-2-oxoethyl]-triphenylphosphanium chloride is sourced from PubChem (CID 88693193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).