2-(4-tert-butylphenoxy)-N-pyridin-4-ylacetamide

C17H20N2O2 — CID 1153606

IUPAC2-(4-tert-butylphenoxy)-N-pyridin-4-ylacetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccncc2)cc1
InChIInChI=1S/C17H20N2O2/c1-17(2,3)13-4-6-15(7-5-13)21-12-16(20)19-14-8-10-18-11-9-14/h4-11H,12H2,1-3H3,(H,18,19,20)
InChIKeyHMNSRRVTSOQOEO-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.40
Rot. Bonds4

About 2-(4-tert-butylphenoxy)-N-pyridin-4-ylacetamide

2-(4-tert-butylphenoxy)-N-pyridin-4-ylacetamide (PubChem CID 1153606) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-pyridin-4-ylacetamide
PubChem CID1153606
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-(4-tert-butylphenoxy)-N-pyridin-4-ylacetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccncc2)cc1
InChIInChI=1S/C17H20N2O2/c1-17(2,3)13-4-6-15(7-5-13)21-12-16(20)19-14-8-10-18-11-9-14/h4-11H,12H2,1-3H3,(H,18,19,20)
InChIKeyHMNSRRVTSOQOEO-UHFFFAOYSA-N
XLogP3.40
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 2735289
CID 2735289
CID 76071870
CID 76071870
CID 572152
CID 572152
CID 2323706
CID 2323706
CID 2977532
CID 2977532
CID 44292136
CID 44292136
CID 138115404
CID 138115404
CID 814788
CID 814788
CID 3136719
CID 3136719
CID 748753
CID 748753
CID 798146
CID 798146
CID 807261
CID 807261

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-pyridin-4-ylacetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-pyridin-4-ylacetamide (CID 1153606) is 2-(4-tert-butylphenoxy)-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-pyridin-4-ylacetamide is CC(C)(C)c1ccc(OCC(=O)Nc2ccncc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-pyridin-4-ylacetamide?
The InChIKey is HMNSRRVTSOQOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-17(2,3)13-4-6-15(7-5-13)21-12-16(20)19-14-8-10-18-11-9-14/h4-11H,12H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(4-tert-butylphenoxy)-N-pyridin-4-ylacetamide?
2-(4-tert-butylphenoxy)-N-pyridin-4-ylacetamide has a molecular weight of 284.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-pyridin-4-ylacetamide is sourced from PubChem (CID 1153606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).