[2-oxo-2-phenyl-1-[(2-phenylacetyl)amino]ethyl]-triphenylphosphanium chloride

C34H29ClNO2P — CID 45048414

IUPAC[2-oxo-2-phenyl-1-[(2-phenylacetyl)amino]ethyl]-triphenylphosphanium chloride
SMILESO=C(Cc1ccccc1)NC(C(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C34H28NO2P.ClH/c36-32(26-27-16-6-1-7-17-27)35-34(33(37)28-18-8-2-9-19-28)38(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31;/h1-25,34H,26H2;1H
InChIKeyKYWQVSXXRTWIII-UHFFFAOYSA-N
MW550.04 g/mol
LogP2.55
Rot. Bonds9

About [2-oxo-2-phenyl-1-[(2-phenylacetyl)amino]ethyl]-triphenylphosphanium chloride

[2-oxo-2-phenyl-1-[(2-phenylacetyl)amino]ethyl]-triphenylphosphanium chloride (PubChem CID 45048414) has the molecular formula C34H29ClNO2P and a molecular weight of 550.04 g/mol. Its IUPAC name is [2-oxo-2-phenyl-1-[(2-phenylacetyl)amino]ethyl]-triphenylphosphanium chloride.

Molecular Properties

Compound Name[2-oxo-2-phenyl-1-[(2-phenylacetyl)amino]ethyl]-triphenylphosphanium chloride
PubChem CID45048414
Molecular FormulaC34H29ClNO2P
Molecular Weight550.04 g/mol
Exact Mass549.16
IUPAC Name[2-oxo-2-phenyl-1-[(2-phenylacetyl)amino]ethyl]-triphenylphosphanium chloride
SMILESO=C(Cc1ccccc1)NC(C(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C34H28NO2P.ClH/c36-32(26-27-16-6-1-7-17-27)35-34(33(37)28-18-8-2-9-19-28)38(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31;/h1-25,34H,26H2;1H
InChIKeyKYWQVSXXRTWIII-UHFFFAOYSA-N
XLogP2.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.04
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-N-[2-phenyl-1-[(2-phenylacetyl)amino]ethyl]acetamide
CID 71457306
N-(1-bromo-3-phenylpropan-2-yl)-2-phenylacetamide
CID 114311192
2-[(2-phenylacetyl)amino]propanediamide
CID 122164047
(2R)-2-phenyl-2-[(2-phenylacetyl)amino]acetic acid
CID 3049856
2-phenyl-N-(2,2,2-tribromo-1-hydroxyethyl)acetamide
CID 117066138
(2S)-3-hydroxy-3-phenyl-2-[(2-phenylacetyl)amino]propanoic acid
CID 54231221
N-(1-cyanopropan-2-yl)-2-phenylacetamide
CID 55211217
(2S)-2-[(2-phenylacetyl)amino]propanamide
CID 15719285
N-[(2R)-3,3-dimethylbutan-2-yl]-2-phenylacetamide
CID 42561776
2,3-dichloro-1,5-diphenylpentane-1,4-dione
CID 90920712
(2R)-2-[(2-phenylacetyl)amino]propanamide
CID 15719286
N-(1-benzamido-2-oxo-2-phenylethyl)benzamide
CID 1101094

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-phenyl-1-[(2-phenylacetyl)amino]ethyl]-triphenylphosphanium chloride?
The IUPAC name of [2-oxo-2-phenyl-1-[(2-phenylacetyl)amino]ethyl]-triphenylphosphanium chloride (CID 45048414) is [2-oxo-2-phenyl-1-[(2-phenylacetyl)amino]ethyl]-triphenylphosphanium chloride.
What is the SMILES notation for [2-oxo-2-phenyl-1-[(2-phenylacetyl)amino]ethyl]-triphenylphosphanium chloride?
The canonical SMILES for [2-oxo-2-phenyl-1-[(2-phenylacetyl)amino]ethyl]-triphenylphosphanium chloride is O=C(Cc1ccccc1)NC(C(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of [2-oxo-2-phenyl-1-[(2-phenylacetyl)amino]ethyl]-triphenylphosphanium chloride?
The InChIKey is KYWQVSXXRTWIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28NO2P.ClH/c36-32(26-27-16-6-1-7-17-27)35-34(33(37)28-18-8-2-9-19-28)38(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31;/h1-25,34H,26H2;1H.
What are the key properties of [2-oxo-2-phenyl-1-[(2-phenylacetyl)amino]ethyl]-triphenylphosphanium chloride?
[2-oxo-2-phenyl-1-[(2-phenylacetyl)amino]ethyl]-triphenylphosphanium chloride has a molecular weight of 550.04 g/mol, XLogP of 2.55, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-phenyl-1-[(2-phenylacetyl)amino]ethyl]-triphenylphosphanium chloride is sourced from PubChem (CID 45048414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).