2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide

C22H21N2O3+ — CID 2489195

IUPAC2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide
SMILESCCc1cc[n+](CC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1
InChIInChI=1S/C22H20N2O3/c1-3-15-8-10-24(11-9-15)14-22(25)23-18-13-20-17(12-21(18)26-2)16-6-4-5-7-19(16)27-20/h4-13H,3,14H2,1-2H3/p+1
InChIKeyBRMUCEHJUIZZAF-UHFFFAOYSA-O
MW361.42 g/mol
LogP4.08
Rot. Bonds5

About 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide

2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide (PubChem CID 2489195) has the molecular formula C22H21N2O3+ and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide
PubChem CID2489195
Molecular FormulaC22H21N2O3+
Molecular Weight361.42 g/mol
Exact Mass361.15
IUPAC Name2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide
SMILESCCc1cc[n+](CC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1
InChIInChI=1S/C22H20N2O3/c1-3-15-8-10-24(11-9-15)14-22(25)23-18-13-20-17(12-21(18)26-2)16-6-4-5-7-19(16)27-20/h4-13H,3,14H2,1-2H3/p+1
InChIKeyBRMUCEHJUIZZAF-UHFFFAOYSA-O
XLogP4.08
TPSA55.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 8863615
1-ethyl-3-(2-methoxydibenzofuran-3-yl)urea
CID 86976519
5-[(4-ethylphenoxy)methyl]-N-(2-methoxydibenzofuran-3-yl)furan-2-carboxamide
CID 4767089
N-(2-methoxydibenzofuran-3-yl)-3,3-diphenylpropanamide
CID 2935191
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7833842
2-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78826575
2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 2401504
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate
CID 7774259
furan-2-ylmethyl-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylazanium
CID 9334151
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 4-(diethylamino)benzoate
CID 2078838
[2-(tert-butylamino)-2-oxoethyl]-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylazanium
CID 8766963
2-(2,5-dimethylphenoxy)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2911367

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide?
The IUPAC name of 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide (CID 2489195) is 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide.
What is the SMILES notation for 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide?
The canonical SMILES for 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide is CCc1cc[n+](CC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1.
What is the InChIKey of 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide?
The InChIKey is BRMUCEHJUIZZAF-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H20N2O3/c1-3-15-8-10-24(11-9-15)14-22(25)23-18-13-20-17(12-21(18)26-2)16-6-4-5-7-19(16)27-20/h4-13H,3,14H2,1-2H3/p+1.
What are the key properties of 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide?
2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide has a molecular weight of 361.42 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide is sourced from PubChem (CID 2489195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).