N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-pyridin-1-ium-1-ylacetamide

C19H25N2O2+ — CID 3124102

IUPACN-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-pyridin-1-ium-1-ylacetamide
SMILESCCOCN(C(=O)C[n+]1ccccc1)c1c(C)cccc1CC
InChIInChI=1S/C19H25N2O2/c1-4-17-11-9-10-16(3)19(17)21(15-23-5-2)18(22)14-20-12-7-6-8-13-20/h6-13H,4-5,14-15H2,1-3H3/q+1
InChIKeyWXVSUVBPNOUCQU-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.87
Rot. Bonds7

About N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-pyridin-1-ium-1-ylacetamide

N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-pyridin-1-ium-1-ylacetamide (PubChem CID 3124102) has the molecular formula C19H25N2O2+ and a molecular weight of 313.42 g/mol. Its IUPAC name is N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-pyridin-1-ium-1-ylacetamide.

Molecular Properties

Compound NameN-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-pyridin-1-ium-1-ylacetamide
PubChem CID3124102
Molecular FormulaC19H25N2O2+
Molecular Weight313.42 g/mol
Exact Mass313.19
IUPAC NameN-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-pyridin-1-ium-1-ylacetamide
SMILESCCOCN(C(=O)C[n+]1ccccc1)c1c(C)cccc1CC
InChIInChI=1S/C19H25N2O2/c1-4-17-11-9-10-16(3)19(17)21(15-23-5-2)18(22)14-20-12-7-6-8-13-20/h6-13H,4-5,14-15H2,1-3H3/q+1
InChIKeyWXVSUVBPNOUCQU-UHFFFAOYSA-N
XLogP2.87
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-[N-(ethoxymethyl)-2-ethyl-6-methylanilino]-2-oxoacetic acid
CID 15842091
2-[N-(ethoxymethyl)-2-ethyl-6-methylanilino]-2-oxoethanesulfonic acid
CID 6426848
2,2-dichloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 154731362
2,2-dichloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-3-oxobutanamide
CID 57299901
[2-[N-(ethoxymethyl)-2-ethyl-6-methylanilino]-2-oxoethyl] carbamimidothioate
CID 3124104
N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetamide
CID 18877755
N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 2904617
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 4037071
N-(ethoxymethyl)-2-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 99785677
2-chloro-N-(ethoxymethyl)-N-(2-methyl-6-nitrophenyl)acetamide
CID 13022595
2-[(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 99792353
N-(acetamidomethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide;2-chloro-N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide;2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 67899906

Frequently Asked Questions

What is the IUPAC name of N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-pyridin-1-ium-1-ylacetamide?
The IUPAC name of N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-pyridin-1-ium-1-ylacetamide (CID 3124102) is N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-pyridin-1-ium-1-ylacetamide.
What is the SMILES notation for N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-pyridin-1-ium-1-ylacetamide?
The canonical SMILES for N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-pyridin-1-ium-1-ylacetamide is CCOCN(C(=O)C[n+]1ccccc1)c1c(C)cccc1CC.
What is the InChIKey of N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-pyridin-1-ium-1-ylacetamide?
The InChIKey is WXVSUVBPNOUCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N2O2/c1-4-17-11-9-10-16(3)19(17)21(15-23-5-2)18(22)14-20-12-7-6-8-13-20/h6-13H,4-5,14-15H2,1-3H3/q+1.
What are the key properties of N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-pyridin-1-ium-1-ylacetamide?
N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-pyridin-1-ium-1-ylacetamide has a molecular weight of 313.42 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-pyridin-1-ium-1-ylacetamide is sourced from PubChem (CID 3124102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).