N-(tert-butylcarbamoyl)-2-pyridin-2-yloxyacetamide

C12H17N3O3 — CID 2117178

IUPACN-(tert-butylcarbamoyl)-2-pyridin-2-yloxyacetamide
SMILESCC(C)(C)NC(=O)NC(=O)COc1ccccn1
InChIInChI=1S/C12H17N3O3/c1-12(2,3)15-11(17)14-9(16)8-18-10-6-4-5-7-13-10/h4-7H,8H2,1-3H3,(H2,14,15,16,17)
InChIKeyGXBQZENVAVWGQL-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.08
Rot. Bonds3

About N-(tert-butylcarbamoyl)-2-pyridin-2-yloxyacetamide

N-(tert-butylcarbamoyl)-2-pyridin-2-yloxyacetamide (PubChem CID 2117178) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-pyridin-2-yloxyacetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-pyridin-2-yloxyacetamide
PubChem CID2117178
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-(tert-butylcarbamoyl)-2-pyridin-2-yloxyacetamide
SMILESCC(C)(C)NC(=O)NC(=O)COc1ccccn1
InChIInChI=1S/C12H17N3O3/c1-12(2,3)15-11(17)14-9(16)8-18-10-6-4-5-7-13-10/h4-7H,8H2,1-3H3,(H2,14,15,16,17)
InChIKeyGXBQZENVAVWGQL-UHFFFAOYSA-N
XLogP1.08
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-pyridin-2-yloxyacetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-pyridin-2-yloxyacetamide (CID 2117178) is N-(tert-butylcarbamoyl)-2-pyridin-2-yloxyacetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-pyridin-2-yloxyacetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-pyridin-2-yloxyacetamide is CC(C)(C)NC(=O)NC(=O)COc1ccccn1.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-pyridin-2-yloxyacetamide?
The InChIKey is GXBQZENVAVWGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-12(2,3)15-11(17)14-9(16)8-18-10-6-4-5-7-13-10/h4-7H,8H2,1-3H3,(H2,14,15,16,17).
What are the key properties of N-(tert-butylcarbamoyl)-2-pyridin-2-yloxyacetamide?
N-(tert-butylcarbamoyl)-2-pyridin-2-yloxyacetamide has a molecular weight of 251.29 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-pyridin-2-yloxyacetamide is sourced from PubChem (CID 2117178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).