2-(4-tert-butylphenoxy)-N-(2-oxo-1H-pyrimidin-6-yl)acetamide

C16H19N3O3 — CID 178052246

IUPAC2-(4-tert-butylphenoxy)-N-(2-oxo-1H-pyrimidin-6-yl)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccnc(=O)[nH]2)cc1
InChIInChI=1S/C16H19N3O3/c1-16(2,3)11-4-6-12(7-5-11)22-10-14(20)18-13-8-9-17-15(21)19-13/h4-9H,10H2,1-3H3,(H2,17,18,19,20,21)
InChIKeySKGZTALHXQBUFU-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.08
Rot. Bonds4

About 2-(4-tert-butylphenoxy)-N-(2-oxo-1H-pyrimidin-6-yl)acetamide

2-(4-tert-butylphenoxy)-N-(2-oxo-1H-pyrimidin-6-yl)acetamide (PubChem CID 178052246) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-(2-oxo-1H-pyrimidin-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-(2-oxo-1H-pyrimidin-6-yl)acetamide
PubChem CID178052246
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-(4-tert-butylphenoxy)-N-(2-oxo-1H-pyrimidin-6-yl)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccnc(=O)[nH]2)cc1
InChIInChI=1S/C16H19N3O3/c1-16(2,3)11-4-6-12(7-5-11)22-10-14(20)18-13-8-9-17-15(21)19-13/h4-9H,10H2,1-3H3,(H2,17,18,19,20,21)
InChIKeySKGZTALHXQBUFU-UHFFFAOYSA-N
XLogP2.08
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]-N-(2-oxo-1H-pyrimidin-6-yl)acetamide
CID 11516475
2-(4-tert-butylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 86992670
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
1-N',6-N'-bis[2-(4-tert-butylphenoxy)acetyl]hexanedihydrazide
CID 3322788
2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
CID 169075439
2-(4-tert-butylphenoxy)-N'-methylacetohydrazide
CID 116820676
2-(4-tert-butylphenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 802579
2-(4-tert-butylphenoxy)-N-(trimethylsilylmethyl)acetamide
CID 58856613
2-(4-tert-butylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 720094
2-(4-tert-butylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4945067
2-(4-tert-butylphenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114306
2-(4-tert-butylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 3380157

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-(2-oxo-1H-pyrimidin-6-yl)acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-(2-oxo-1H-pyrimidin-6-yl)acetamide (CID 178052246) is 2-(4-tert-butylphenoxy)-N-(2-oxo-1H-pyrimidin-6-yl)acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-(2-oxo-1H-pyrimidin-6-yl)acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-(2-oxo-1H-pyrimidin-6-yl)acetamide is CC(C)(C)c1ccc(OCC(=O)Nc2ccnc(=O)[nH]2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-(2-oxo-1H-pyrimidin-6-yl)acetamide?
The InChIKey is SKGZTALHXQBUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-16(2,3)11-4-6-12(7-5-11)22-10-14(20)18-13-8-9-17-15(21)19-13/h4-9H,10H2,1-3H3,(H2,17,18,19,20,21).
What are the key properties of 2-(4-tert-butylphenoxy)-N-(2-oxo-1H-pyrimidin-6-yl)acetamide?
2-(4-tert-butylphenoxy)-N-(2-oxo-1H-pyrimidin-6-yl)acetamide has a molecular weight of 301.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-(2-oxo-1H-pyrimidin-6-yl)acetamide is sourced from PubChem (CID 178052246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).