N-(2-phenylethyl)-2-pyridin-1-ium-1-ylacetamide

C15H17N2O+ — CID 13133471

IUPACN-(2-phenylethyl)-2-pyridin-1-ium-1-ylacetamide
SMILESO=C(C[n+]1ccccc1)NCCc1ccccc1
InChIInChI=1S/C15H16N2O/c18-15(13-17-11-5-2-6-12-17)16-10-9-14-7-3-1-4-8-14/h1-8,11-12H,9-10,13H2/p+1
InChIKeyNJNPOKJQYGMMJJ-UHFFFAOYSA-O
MW241.31 g/mol
LogP1.33
Rot. Bonds5

About N-(2-phenylethyl)-2-pyridin-1-ium-1-ylacetamide

N-(2-phenylethyl)-2-pyridin-1-ium-1-ylacetamide (PubChem CID 13133471) has the molecular formula C15H17N2O+ and a molecular weight of 241.31 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-pyridin-1-ium-1-ylacetamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-pyridin-1-ium-1-ylacetamide
PubChem CID13133471
Molecular FormulaC15H17N2O+
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC NameN-(2-phenylethyl)-2-pyridin-1-ium-1-ylacetamide
SMILESO=C(C[n+]1ccccc1)NCCc1ccccc1
InChIInChI=1S/C15H16N2O/c18-15(13-17-11-5-2-6-12-17)16-10-9-14-7-3-1-4-8-14/h1-8,11-12H,9-10,13H2/p+1
InChIKeyNJNPOKJQYGMMJJ-UHFFFAOYSA-O
XLogP1.33
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 8859529
2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 8860463
2-(2-methylpyridin-1-ium-1-yl)-N-(3-phenylpropyl)acetamide
CID 8826993
N-[2-(4-chlorophenyl)ethyl]-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877328
2-(4-benzylpyridin-1-ium-1-yl)-N-(2-methoxyethyl)acetamide
CID 8859646
methyl 3-oxo-3-(2-phenylethylamino)propanoate
CID 15006667
N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide
CID 118398418
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 11857553
2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 8863393
2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenylethyl)acetamide
CID 2341292
molecular hydrogen;2-phenylethylcarbamic acid
CID 145072858
2-phenylethylcarbamothioic S-acid
CID 11116669

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-pyridin-1-ium-1-ylacetamide?
The IUPAC name of N-(2-phenylethyl)-2-pyridin-1-ium-1-ylacetamide (CID 13133471) is N-(2-phenylethyl)-2-pyridin-1-ium-1-ylacetamide.
What is the SMILES notation for N-(2-phenylethyl)-2-pyridin-1-ium-1-ylacetamide?
The canonical SMILES for N-(2-phenylethyl)-2-pyridin-1-ium-1-ylacetamide is O=C(C[n+]1ccccc1)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-2-pyridin-1-ium-1-ylacetamide?
The InChIKey is NJNPOKJQYGMMJJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H16N2O/c18-15(13-17-11-5-2-6-12-17)16-10-9-14-7-3-1-4-8-14/h1-8,11-12H,9-10,13H2/p+1.
What are the key properties of N-(2-phenylethyl)-2-pyridin-1-ium-1-ylacetamide?
N-(2-phenylethyl)-2-pyridin-1-ium-1-ylacetamide has a molecular weight of 241.31 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-pyridin-1-ium-1-ylacetamide is sourced from PubChem (CID 13133471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).