2-(4-tert-butylphenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide

C18H23N3O2 — CID 802579

IUPAC2-(4-tert-butylphenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
SMILESCc1cc(C)nc(NC(=O)COc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C18H23N3O2/c1-12-10-13(2)20-17(19-12)21-16(22)11-23-15-8-6-14(7-9-15)18(3,4)5/h6-10H,11H2,1-5H3,(H,19,20,21,22)
InChIKeyQXIGOVRPILEOFH-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.41
Rot. Bonds4

About 2-(4-tert-butylphenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide

2-(4-tert-butylphenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide (PubChem CID 802579) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
PubChem CID802579
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-(4-tert-butylphenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
SMILESCc1cc(C)nc(NC(=O)COc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C18H23N3O2/c1-12-10-13(2)20-17(19-12)21-16(22)11-23-15-8-6-14(7-9-15)18(3,4)5/h6-10H,11H2,1-5H3,(H,19,20,21,22)
InChIKeyQXIGOVRPILEOFH-UHFFFAOYSA-N
XLogP3.41
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 86992670
2-(4-tert-butylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 720094
2-(4-tert-butylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 19178619
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
CID 169075439
2-(4-tert-butylphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide
CID 20897201
2-(4-tert-butylphenoxy)-N'-methylacetohydrazide
CID 116820676
5-[[2-(4-tert-butylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 7317544
2-(4-tert-butylphenoxy)-N-(trimethylsilylmethyl)acetamide
CID 58856613
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-(4,6-dimethylpyrimidin-2-yl)acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide (CID 802579) is 2-(4-tert-butylphenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide is Cc1cc(C)nc(NC(=O)COc2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
The InChIKey is QXIGOVRPILEOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12-10-13(2)20-17(19-12)21-16(22)11-23-15-8-6-14(7-9-15)18(3,4)5/h6-10H,11H2,1-5H3,(H,19,20,21,22).
What are the key properties of 2-(4-tert-butylphenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
2-(4-tert-butylphenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide has a molecular weight of 313.40 g/mol, XLogP of 3.41, 4 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-(4,6-dimethylpyrimidin-2-yl)acetamide is sourced from PubChem (CID 802579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).