2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide

C23H25N2O2+ — CID 8860463

IUPAC2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)C[n+]2ccc(Cc3ccccc3)cc2)cc1
InChIInChI=1S/C23H24N2O2/c1-27-22-9-7-19(8-10-22)11-14-24-23(26)18-25-15-12-21(13-16-25)17-20-5-3-2-4-6-20/h2-10,12-13,15-16H,11,14,17-18H2,1H3/p+1
InChIKeyQWIUFRITYSQEGK-UHFFFAOYSA-O
MW361.47 g/mol
LogP2.93
Rot. Bonds8

About 2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 8860463) has the molecular formula C23H25N2O2+ and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID8860463
Molecular FormulaC23H25N2O2+
Molecular Weight361.47 g/mol
Exact Mass361.19
IUPAC Name2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)C[n+]2ccc(Cc3ccccc3)cc2)cc1
InChIInChI=1S/C23H24N2O2/c1-27-22-9-7-19(8-10-22)11-14-24-23(26)18-25-15-12-21(13-16-25)17-20-5-3-2-4-6-20/h2-10,12-13,15-16H,11,14,17-18H2,1H3/p+1
InChIKeyQWIUFRITYSQEGK-UHFFFAOYSA-O
XLogP2.93
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methoxyethyl)acetamide
CID 8859646
N-(2-phenylethyl)-2-pyridin-1-ium-1-ylacetamide
CID 13133471
N-[2-(4-methoxyphenyl)ethyl]-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide
CID 8877134
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 27548820
N-[2-(4-methoxyphenyl)ethyl]-N'-phenylpropanediamide
CID 108948790
N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-N'-phenylpropanediamide
CID 108948794
N-[2-(4-methoxyphenyl)ethyl]-3,3,3-triphenylpropanamide
CID 11259109
(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
CID 59492005
3-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide
CID 110297227
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-4-[4-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]carbamoyl]phenyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 10629682
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 40692952

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 8860463) is 2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)C[n+]2ccc(Cc3ccccc3)cc2)cc1.
What is the InChIKey of 2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is QWIUFRITYSQEGK-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H24N2O2/c1-27-22-9-7-19(8-10-22)11-14-24-23(26)18-25-15-12-21(13-16-25)17-20-5-3-2-4-6-20/h2-10,12-13,15-16H,11,14,17-18H2,1H3/p+1.
What are the key properties of 2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 361.47 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 8860463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).