2-[3-hydroxy-4-(2-phenylpyrimidin-4-yl)phenoxy]-N-(4-methylphenyl)acetamide

C25H21N3O3 — CID 135555295

IUPAC2-[3-hydroxy-4-(2-phenylpyrimidin-4-yl)phenoxy]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(-c3ccnc(-c4ccccc4)n3)c(O)c2)cc1
InChIInChI=1S/C25H21N3O3/c1-17-7-9-19(10-8-17)27-24(30)16-31-20-11-12-21(23(29)15-20)22-13-14-26-25(28-22)18-5-3-2-4-6-18/h2-15,29H,16H2,1H3,(H,27,30)
InChIKeyUNYLEAFXERXJFY-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.84
Rot. Bonds6

About 2-[3-hydroxy-4-(2-phenylpyrimidin-4-yl)phenoxy]-N-(4-methylphenyl)acetamide

2-[3-hydroxy-4-(2-phenylpyrimidin-4-yl)phenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 135555295) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is 2-[3-hydroxy-4-(2-phenylpyrimidin-4-yl)phenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-hydroxy-4-(2-phenylpyrimidin-4-yl)phenoxy]-N-(4-methylphenyl)acetamide
PubChem CID135555295
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC Name2-[3-hydroxy-4-(2-phenylpyrimidin-4-yl)phenoxy]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(-c3ccnc(-c4ccccc4)n3)c(O)c2)cc1
InChIInChI=1S/C25H21N3O3/c1-17-7-9-19(10-8-17)27-24(30)16-31-20-11-12-21(23(29)15-20)22-13-14-26-25(28-22)18-5-3-2-4-6-18/h2-15,29H,16H2,1H3,(H,27,30)
InChIKeyUNYLEAFXERXJFY-UHFFFAOYSA-N
XLogP4.84
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide
CID 71095079
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide
CID 837401
N-(4-methylphenyl)-2-(3-phenoxyphenoxy)acetamide
CID 23904816
2-(3-hydroxy-5-methylphenoxy)-N-phenylacetamide
CID 107679862
2-(3-acetylphenoxy)-N-(4-methylphenyl)acetamide
CID 2616941
N-(4-methoxyphenyl)-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266503
2-(3,5-dimethoxyphenoxy)-N-(4-phenylphenyl)acetamide
CID 7713896
N-(4-anilinophenyl)-2-(4-phenylphenoxy)acetamide
CID 4511463
2-phenoxy-N-(2-phenylpyrimidin-5-yl)acetamide
CID 17407421
2-methoxy-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 35333453
N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-2-(3-methylphenoxy)acetamide
CID 122297687

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-4-(2-phenylpyrimidin-4-yl)phenoxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[3-hydroxy-4-(2-phenylpyrimidin-4-yl)phenoxy]-N-(4-methylphenyl)acetamide (CID 135555295) is 2-[3-hydroxy-4-(2-phenylpyrimidin-4-yl)phenoxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-hydroxy-4-(2-phenylpyrimidin-4-yl)phenoxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[3-hydroxy-4-(2-phenylpyrimidin-4-yl)phenoxy]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)COc2ccc(-c3ccnc(-c4ccccc4)n3)c(O)c2)cc1.
What is the InChIKey of 2-[3-hydroxy-4-(2-phenylpyrimidin-4-yl)phenoxy]-N-(4-methylphenyl)acetamide?
The InChIKey is UNYLEAFXERXJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-17-7-9-19(10-8-17)27-24(30)16-31-20-11-12-21(23(29)15-20)22-13-14-26-25(28-22)18-5-3-2-4-6-18/h2-15,29H,16H2,1H3,(H,27,30).
What are the key properties of 2-[3-hydroxy-4-(2-phenylpyrimidin-4-yl)phenoxy]-N-(4-methylphenyl)acetamide?
2-[3-hydroxy-4-(2-phenylpyrimidin-4-yl)phenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 411.46 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-4-(2-phenylpyrimidin-4-yl)phenoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 135555295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).