2-[4-(2-methylbutan-2-yl)phenoxy]-N-pyridin-4-ylacetamide

C18H22N2O2 — CID 839550

IUPAC2-[4-(2-methylbutan-2-yl)phenoxy]-N-pyridin-4-ylacetamide
SMILESCCC(C)(C)c1ccc(OCC(=O)Nc2ccncc2)cc1
InChIInChI=1S/C18H22N2O2/c1-4-18(2,3)14-5-7-16(8-6-14)22-13-17(21)20-15-9-11-19-12-10-15/h5-12H,4,13H2,1-3H3,(H,19,20,21)
InChIKeyMVUNQBBFRYTTNL-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.79
Rot. Bonds6

About 2-[4-(2-methylbutan-2-yl)phenoxy]-N-pyridin-4-ylacetamide

2-[4-(2-methylbutan-2-yl)phenoxy]-N-pyridin-4-ylacetamide (PubChem CID 839550) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[4-(2-methylbutan-2-yl)phenoxy]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[4-(2-methylbutan-2-yl)phenoxy]-N-pyridin-4-ylacetamide
PubChem CID839550
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-[4-(2-methylbutan-2-yl)phenoxy]-N-pyridin-4-ylacetamide
SMILESCCC(C)(C)c1ccc(OCC(=O)Nc2ccncc2)cc1
InChIInChI=1S/C18H22N2O2/c1-4-18(2,3)14-5-7-16(8-6-14)22-13-17(21)20-15-9-11-19-12-10-15/h5-12H,4,13H2,1-3H3,(H,19,20,21)
InChIKeyMVUNQBBFRYTTNL-UHFFFAOYSA-N
XLogP3.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylbutan-2-yl)phenoxy]-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[4-(2-methylbutan-2-yl)phenoxy]-N-pyridin-4-ylacetamide (CID 839550) is 2-[4-(2-methylbutan-2-yl)phenoxy]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[4-(2-methylbutan-2-yl)phenoxy]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[4-(2-methylbutan-2-yl)phenoxy]-N-pyridin-4-ylacetamide is CCC(C)(C)c1ccc(OCC(=O)Nc2ccncc2)cc1.
What is the InChIKey of 2-[4-(2-methylbutan-2-yl)phenoxy]-N-pyridin-4-ylacetamide?
The InChIKey is MVUNQBBFRYTTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-4-18(2,3)14-5-7-16(8-6-14)22-13-17(21)20-15-9-11-19-12-10-15/h5-12H,4,13H2,1-3H3,(H,19,20,21).
What are the key properties of 2-[4-(2-methylbutan-2-yl)phenoxy]-N-pyridin-4-ylacetamide?
2-[4-(2-methylbutan-2-yl)phenoxy]-N-pyridin-4-ylacetamide has a molecular weight of 298.39 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylbutan-2-yl)phenoxy]-N-pyridin-4-ylacetamide is sourced from PubChem (CID 839550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).