2-(4-benzylpyridin-1-ium-1-yl)-N-(2-methoxyethyl)acetamide

C17H21N2O2+ — CID 8859646

IUPAC2-(4-benzylpyridin-1-ium-1-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)C[n+]1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c1-21-12-9-18-17(20)14-19-10-7-16(8-11-19)13-15-5-3-2-4-6-15/h2-8,10-11H,9,12-14H2,1H3/p+1
InChIKeyMGQZWOOSKLZOCJ-UHFFFAOYSA-O
MW285.37 g/mol
LogP1.33
Rot. Bonds7

About 2-(4-benzylpyridin-1-ium-1-yl)-N-(2-methoxyethyl)acetamide

2-(4-benzylpyridin-1-ium-1-yl)-N-(2-methoxyethyl)acetamide (PubChem CID 8859646) has the molecular formula C17H21N2O2+ and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(4-benzylpyridin-1-ium-1-yl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-benzylpyridin-1-ium-1-yl)-N-(2-methoxyethyl)acetamide
PubChem CID8859646
Molecular FormulaC17H21N2O2+
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC Name2-(4-benzylpyridin-1-ium-1-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)C[n+]1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c1-21-12-9-18-17(20)14-19-10-7-16(8-11-19)13-15-5-3-2-4-6-15/h2-8,10-11H,9,12-14H2,1H3/p+1
InChIKeyMGQZWOOSKLZOCJ-UHFFFAOYSA-O
XLogP1.33
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 8860463
2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 8859529
N-(3-methoxypropyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877383
N-(2-phenylethyl)-2-pyridin-1-ium-1-ylacetamide
CID 13133471
2-(benzylamino)-N-(2-methoxyethyl)acetamide
CID 54813572
N-(2-methoxyethyl)-2-(4-phenylphenyl)acetamide
CID 2094675
2-(4-phenylpyridin-1-ium-1-yl)-N-[3-[3-[[2-(4-phenylpyridin-1-ium-1-yl)acetyl]amino]propoxy]propyl]acetamide
CID 23386947
N-(3-ethoxypropyl)-2-(4-phenylpyridin-1-ium-1-yl)acetamide
CID 20771800
N-(2-methoxyethyl)-3,3-diphenylpropanamide
CID 2263132
2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)acetamide
CID 110372288
N-[2-[(2-methoxyacetyl)amino]ethyl]-2-phenylacetamide
CID 108540002
(2S)-N-(2-methoxyethyl)-2-methyl-3-phenylpropanamide
CID 141196582

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpyridin-1-ium-1-yl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(4-benzylpyridin-1-ium-1-yl)-N-(2-methoxyethyl)acetamide (CID 8859646) is 2-(4-benzylpyridin-1-ium-1-yl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(4-benzylpyridin-1-ium-1-yl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(4-benzylpyridin-1-ium-1-yl)-N-(2-methoxyethyl)acetamide is COCCNC(=O)C[n+]1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 2-(4-benzylpyridin-1-ium-1-yl)-N-(2-methoxyethyl)acetamide?
The InChIKey is MGQZWOOSKLZOCJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H20N2O2/c1-21-12-9-18-17(20)14-19-10-7-16(8-11-19)13-15-5-3-2-4-6-15/h2-8,10-11H,9,12-14H2,1H3/p+1.
What are the key properties of 2-(4-benzylpyridin-1-ium-1-yl)-N-(2-methoxyethyl)acetamide?
2-(4-benzylpyridin-1-ium-1-yl)-N-(2-methoxyethyl)acetamide has a molecular weight of 285.37 g/mol, XLogP of 1.33, 7 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-methoxyethyl)acetamide is sourced from PubChem (CID 8859646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).