2-(4-tert-butylphenoxy)-N-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]acetamide

C20H24N2O3 — CID 11559184

IUPAC2-(4-tert-butylphenoxy)-N-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]acetamide
SMILESCc1cccc(C(=O)CNC(=O)COc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C20H24N2O3/c1-14-6-5-7-17(22-14)18(23)12-21-19(24)13-25-16-10-8-15(9-11-16)20(2,3)4/h5-11H,12-13H2,1-4H3,(H,21,24)
InChIKeyOWHWZFOZSSKTQA-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.07
Rot. Bonds6

About 2-(4-tert-butylphenoxy)-N-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]acetamide

2-(4-tert-butylphenoxy)-N-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]acetamide (PubChem CID 11559184) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]acetamide
PubChem CID11559184
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-(4-tert-butylphenoxy)-N-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]acetamide
SMILESCc1cccc(C(=O)CNC(=O)COc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C20H24N2O3/c1-14-6-5-7-17(22-14)18(23)12-21-19(24)13-25-16-10-8-15(9-11-16)20(2,3)4/h5-11H,12-13H2,1-4H3,(H,21,24)
InChIKeyOWHWZFOZSSKTQA-UHFFFAOYSA-N
XLogP3.07
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]acetamide (CID 11559184) is 2-(4-tert-butylphenoxy)-N-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]acetamide is Cc1cccc(C(=O)CNC(=O)COc2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]acetamide?
The InChIKey is OWHWZFOZSSKTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-6-5-7-17(22-14)18(23)12-21-19(24)13-25-16-10-8-15(9-11-16)20(2,3)4/h5-11H,12-13H2,1-4H3,(H,21,24).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]acetamide?
2-(4-tert-butylphenoxy)-N-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]acetamide has a molecular weight of 340.42 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]acetamide is sourced from PubChem (CID 11559184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).