2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide

C22H25N2O2+ — CID 8858174

IUPAC2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESO=C(C[n+]1ccc(C(=O)c2ccccc2)cc1)NCCC1=CCCCC1
InChIInChI=1S/C22H24N2O2/c25-21(23-14-11-18-7-3-1-4-8-18)17-24-15-12-20(13-16-24)22(26)19-9-5-2-6-10-19/h2,5-7,9-10,12-13,15-16H,1,3-4,8,11,14,17H2/p+1
InChIKeyYUOJEWPSGKVETA-UHFFFAOYSA-O
MW349.45 g/mol
LogP3.21
Rot. Bonds7

About 2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide

2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 8858174) has the molecular formula C22H25N2O2+ and a molecular weight of 349.45 g/mol. Its IUPAC name is 2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID8858174
Molecular FormulaC22H25N2O2+
Molecular Weight349.45 g/mol
Exact Mass349.19
IUPAC Name2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESO=C(C[n+]1ccc(C(=O)c2ccccc2)cc1)NCCC1=CCCCC1
InChIInChI=1S/C22H24N2O2/c25-21(23-14-11-18-7-3-1-4-8-18)17-24-15-12-20(13-16-24)22(26)19-9-5-2-6-10-19/h2,5-7,9-10,12-13,15-16H,1,3-4,8,11,14,17H2/p+1
InChIKeyYUOJEWPSGKVETA-UHFFFAOYSA-O
XLogP3.21
TPSA50.05 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide 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

N-[2-(cyclohexen-1-yl)ethyl]-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877333
N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide
CID 108942883
N-[6-[2-(cyclohexen-1-yl)ethylamino]-6-oxohexyl]benzamide
CID 110839487
[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 4-benzoylbenzoate
CID 7211569
N-[2-(cyclohexen-1-yl)ethyl]-3-(N-ethylanilino)propanamide
CID 109014714
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]benzamide
CID 909201
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,2-diphenylacetamide
CID 112991069
5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 2932918
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-phenylpropylamino)acetamide
CID 108993941
2-(benzenesulfonamido)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 112991103

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 8858174) is 2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide is O=C(C[n+]1ccc(C(=O)c2ccccc2)cc1)NCCC1=CCCCC1.
What is the InChIKey of 2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is YUOJEWPSGKVETA-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H24N2O2/c25-21(23-14-11-18-7-3-1-4-8-18)17-24-15-12-20(13-16-24)22(26)19-9-5-2-6-10-19/h2,5-7,9-10,12-13,15-16H,1,3-4,8,11,14,17H2/p+1.
What are the key properties of 2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 349.45 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 8858174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).