N-(tert-butylcarbamoyl)-2-(4-ethylpyridin-1-ium-1-yl)acetamide

C14H22N3O2+ — CID 8856962

IUPACN-(tert-butylcarbamoyl)-2-(4-ethylpyridin-1-ium-1-yl)acetamide
SMILESCCc1cc[n+](CC(=O)NC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C14H21N3O2/c1-5-11-6-8-17(9-7-11)10-12(18)15-13(19)16-14(2,3)4/h6-9H,5,10H2,1-4H3,(H-,15,16,18,19)/p+1
InChIKeyMTBINMPACVXTCA-UHFFFAOYSA-O
MW264.35 g/mol
LogP1.16
Rot. Bonds3

About N-(tert-butylcarbamoyl)-2-(4-ethylpyridin-1-ium-1-yl)acetamide

N-(tert-butylcarbamoyl)-2-(4-ethylpyridin-1-ium-1-yl)acetamide (PubChem CID 8856962) has the molecular formula C14H22N3O2+ and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-(4-ethylpyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-(4-ethylpyridin-1-ium-1-yl)acetamide
PubChem CID8856962
Molecular FormulaC14H22N3O2+
Molecular Weight264.35 g/mol
Exact Mass264.17
IUPAC NameN-(tert-butylcarbamoyl)-2-(4-ethylpyridin-1-ium-1-yl)acetamide
SMILESCCc1cc[n+](CC(=O)NC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C14H21N3O2/c1-5-11-6-8-17(9-7-11)10-12(18)15-13(19)16-14(2,3)4/h6-9H,5,10H2,1-4H3,(H-,15,16,18,19)/p+1
InChIKeyMTBINMPACVXTCA-UHFFFAOYSA-O
XLogP1.16
TPSA62.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.16
H-Bond Donors ≤ 52
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-ethylpyridin-1-ium-1-yl)-N-(2-methylpropylcarbamoyl)acetamide
CID 8857432
N-(tert-butylcarbamoyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 4818784
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium
CID 8907562
2-(4-ethylpyridin-1-ium-1-yl)-N-(4-methylphenyl)acetamide
CID 8857721
2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methylsulfanylphenyl)acetamide
CID 8857954
N-tert-butyl-2-(4-ethylphenoxy)acetamide
CID 807221
1-tert-butyl-3-[1-(4-ethylphenyl)ethyl]urea
CID 108896878
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8837726
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 2417901
N-(tert-butylcarbamoyl)-2-hydroxyacetamide
CID 43558926
N-(tert-butylcarbamoyl)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide
CID 8720043
N-(tert-butylcarbamothioyl)-2-phenylacetamide;N-(tert-butylcarbamoyl)-2-phenylacetamide
CID 161463574

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-(4-ethylpyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-(4-ethylpyridin-1-ium-1-yl)acetamide (CID 8856962) is N-(tert-butylcarbamoyl)-2-(4-ethylpyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-(4-ethylpyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-(4-ethylpyridin-1-ium-1-yl)acetamide is CCc1cc[n+](CC(=O)NC(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-(4-ethylpyridin-1-ium-1-yl)acetamide?
The InChIKey is MTBINMPACVXTCA-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H21N3O2/c1-5-11-6-8-17(9-7-11)10-12(18)15-13(19)16-14(2,3)4/h6-9H,5,10H2,1-4H3,(H-,15,16,18,19)/p+1.
What are the key properties of N-(tert-butylcarbamoyl)-2-(4-ethylpyridin-1-ium-1-yl)acetamide?
N-(tert-butylcarbamoyl)-2-(4-ethylpyridin-1-ium-1-yl)acetamide has a molecular weight of 264.35 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-(4-ethylpyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8856962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).