(5-benzamido-5-oxopentyl)-triphenylphosphanium

C30H29NO2P+ — CID 19608851

IUPAC(5-benzamido-5-oxopentyl)-triphenylphosphanium
SMILESO=C(CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C30H28NO2P/c32-29(31-30(33)25-15-5-1-6-16-25)23-13-14-24-34(26-17-7-2-8-18-26,27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22H,13-14,23-24H2/p+1
InChIKeyZIRNEAQTJOCKQH-UHFFFAOYSA-O
MW466.54 g/mol
LogP5.11
Rot. Bonds9

About (5-benzamido-5-oxopentyl)-triphenylphosphanium

(5-benzamido-5-oxopentyl)-triphenylphosphanium (PubChem CID 19608851) has the molecular formula C30H29NO2P+ and a molecular weight of 466.54 g/mol. Its IUPAC name is (5-benzamido-5-oxopentyl)-triphenylphosphanium.

Molecular Properties

Compound Name(5-benzamido-5-oxopentyl)-triphenylphosphanium
PubChem CID19608851
Molecular FormulaC30H29NO2P+
Molecular Weight466.54 g/mol
Exact Mass466.19
IUPAC Name(5-benzamido-5-oxopentyl)-triphenylphosphanium
SMILESO=C(CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C30H28NO2P/c32-29(31-30(33)25-15-5-1-6-16-25)23-13-14-24-34(26-17-7-2-8-18-26,27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22H,13-14,23-24H2/p+1
InChIKeyZIRNEAQTJOCKQH-UHFFFAOYSA-O
XLogP5.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5-benzamido-5-oxopentyl)-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

[6-(ethylamino)-6-oxohexyl]-triphenylphosphanium
CID 118603839
9-carboxynonyl(triphenyl)phosphanium iodide
CID 126698035
(5-methoxy-5-oxopentyl)-triphenylphosphanium
CID 3630851
(15-methoxy-15-oxopentadecyl)-triphenylphosphanium
CID 10508386
[5-[4-[(4-benzamidobenzoyl)amino]phenoxy]-5-oxopentyl]-triphenylphosphanium
CID 88754434
bromomethane;6-carboxyhexyl(triphenyl)phosphanium
CID 177012688
(4-methoxy-4-oxobutyl)-triphenylphosphanium
CID 11015715
N-(3,3-diphenylpropanoyl)benzamide
CID 101440172
[6-oxo-6-[tris[(2,2-dichloroacetyl)oxy]methylamino]hexyl]-triphenylphosphanium
CID 86582947
N,N'-bis(4-benzamidophenyl)hexanediamide
CID 17235924
8-(carboxyamino)octyl-triphenylphosphanium
CID 158859185
3-benzoyloxypropyl(triphenyl)phosphanium;hydrobromide
CID 126958911

Frequently Asked Questions

What is the IUPAC name of (5-benzamido-5-oxopentyl)-triphenylphosphanium?
The IUPAC name of (5-benzamido-5-oxopentyl)-triphenylphosphanium (CID 19608851) is (5-benzamido-5-oxopentyl)-triphenylphosphanium.
What is the SMILES notation for (5-benzamido-5-oxopentyl)-triphenylphosphanium?
The canonical SMILES for (5-benzamido-5-oxopentyl)-triphenylphosphanium is O=C(CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of (5-benzamido-5-oxopentyl)-triphenylphosphanium?
The InChIKey is ZIRNEAQTJOCKQH-UHFFFAOYSA-O. The full InChI is InChI=1S/C30H28NO2P/c32-29(31-30(33)25-15-5-1-6-16-25)23-13-14-24-34(26-17-7-2-8-18-26,27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22H,13-14,23-24H2/p+1.
What are the key properties of (5-benzamido-5-oxopentyl)-triphenylphosphanium?
(5-benzamido-5-oxopentyl)-triphenylphosphanium has a molecular weight of 466.54 g/mol, XLogP of 5.11, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzamido-5-oxopentyl)-triphenylphosphanium is sourced from PubChem (CID 19608851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).