(2R)-2-(4-benzylpyridin-1-ium-1-yl)-N-ethyl-N-phenylpropanamide

C23H25N2O+ — CID 8860090

IUPAC(2R)-2-(4-benzylpyridin-1-ium-1-yl)-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)[C@@H](C)[n+]1ccc(Cc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H25N2O/c1-3-25(22-12-8-5-9-13-22)23(26)19(2)24-16-14-21(15-17-24)18-20-10-6-4-7-11-20/h4-17,19H,3,18H2,1-2H3/q+1/t19-/m1/s1
InChIKeyYJCHGYGVEXSDFJ-LJQANCHMSA-N
MW345.47 g/mol
LogP4.18
Rot. Bonds6

About (2R)-2-(4-benzylpyridin-1-ium-1-yl)-N-ethyl-N-phenylpropanamide

(2R)-2-(4-benzylpyridin-1-ium-1-yl)-N-ethyl-N-phenylpropanamide (PubChem CID 8860090) has the molecular formula C23H25N2O+ and a molecular weight of 345.47 g/mol. Its IUPAC name is (2R)-2-(4-benzylpyridin-1-ium-1-yl)-N-ethyl-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-(4-benzylpyridin-1-ium-1-yl)-N-ethyl-N-phenylpropanamide
PubChem CID8860090
Molecular FormulaC23H25N2O+
Molecular Weight345.47 g/mol
Exact Mass345.20
IUPAC Name(2R)-2-(4-benzylpyridin-1-ium-1-yl)-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)[C@@H](C)[n+]1ccc(Cc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H25N2O/c1-3-25(22-12-8-5-9-13-22)23(26)19(2)24-16-14-21(15-17-24)18-20-10-6-4-7-11-20/h4-17,19H,3,18H2,1-2H3/q+1/t19-/m1/s1
InChIKeyYJCHGYGVEXSDFJ-LJQANCHMSA-N
XLogP4.18
TPSA24.19 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R)-2-(4-benzylpyridin-1-ium-1-yl)-N-ethyl-N-phenylpropanamide 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-ethyl-2-methyl-3-(methylamino)-N-phenylpropanamide
CID 79196237
(2S)-2-(2,3-dimethylpyridin-1-ium-1-yl)-N-ethyl-N-phenylpropanamide
CID 8828216
N-ethyl-2-methyl-3-(methylamino)-N-phenylpropanamide;hydrochloride
CID 119670324
2-[butyl(methyl)amino]-N-ethyl-N-phenylpropanamide
CID 78821968
N,N'-diethyl-N,N',2-triphenylpropanediamide
CID 3397142
N-ethyl-2,3-dihydroxy-N-phenylpropanamide
CID 11195148
(2S)-N-ethyl-2-phenoxy-N-phenylpropanamide
CID 670227
5-(N-ethylanilino)-4-methyl-5-oxopentanoic acid
CID 11492533
2-chloro-N-ethyl-N,2-diphenylacetamide
CID 43245479
(2S)-N-ethyl-2-[(3-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide
CID 51947128
(2S)-2-(4-benzoylpyridin-1-ium-1-yl)-N-benzyl-N-methylpropanamide
CID 8858653
2-(2-aminoethyl)-N-ethyl-3-methyl-N-phenylbutanamide
CID 112516009

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-benzylpyridin-1-ium-1-yl)-N-ethyl-N-phenylpropanamide?
The IUPAC name of (2R)-2-(4-benzylpyridin-1-ium-1-yl)-N-ethyl-N-phenylpropanamide (CID 8860090) is (2R)-2-(4-benzylpyridin-1-ium-1-yl)-N-ethyl-N-phenylpropanamide.
What is the SMILES notation for (2R)-2-(4-benzylpyridin-1-ium-1-yl)-N-ethyl-N-phenylpropanamide?
The canonical SMILES for (2R)-2-(4-benzylpyridin-1-ium-1-yl)-N-ethyl-N-phenylpropanamide is CCN(C(=O)[C@@H](C)[n+]1ccc(Cc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of (2R)-2-(4-benzylpyridin-1-ium-1-yl)-N-ethyl-N-phenylpropanamide?
The InChIKey is YJCHGYGVEXSDFJ-LJQANCHMSA-N. The full InChI is InChI=1S/C23H25N2O/c1-3-25(22-12-8-5-9-13-22)23(26)19(2)24-16-14-21(15-17-24)18-20-10-6-4-7-11-20/h4-17,19H,3,18H2,1-2H3/q+1/t19-/m1/s1.
What are the key properties of (2R)-2-(4-benzylpyridin-1-ium-1-yl)-N-ethyl-N-phenylpropanamide?
(2R)-2-(4-benzylpyridin-1-ium-1-yl)-N-ethyl-N-phenylpropanamide has a molecular weight of 345.47 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-benzylpyridin-1-ium-1-yl)-N-ethyl-N-phenylpropanamide is sourced from PubChem (CID 8860090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).