2-(4-acetyl-2-methoxyphenoxy)-N-(6-methoxypyrimidin-4-yl)acetamide

C16H17N3O5 — CID 71795721

IUPAC2-(4-acetyl-2-methoxyphenoxy)-N-(6-methoxypyrimidin-4-yl)acetamide
SMILESCOc1cc(NC(=O)COc2ccc(C(C)=O)cc2OC)ncn1
InChIInChI=1S/C16H17N3O5/c1-10(20)11-4-5-12(13(6-11)22-2)24-8-15(21)19-14-7-16(23-3)18-9-17-14/h4-7,9H,8H2,1-3H3,(H,17,18,19,21)
InChIKeyMGJCRDDIYXXESF-UHFFFAOYSA-N
MW331.33 g/mol
LogP1.71
Rot. Bonds7

About 2-(4-acetyl-2-methoxyphenoxy)-N-(6-methoxypyrimidin-4-yl)acetamide

2-(4-acetyl-2-methoxyphenoxy)-N-(6-methoxypyrimidin-4-yl)acetamide (PubChem CID 71795721) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-N-(6-methoxypyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-N-(6-methoxypyrimidin-4-yl)acetamide
PubChem CID71795721
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-N-(6-methoxypyrimidin-4-yl)acetamide
SMILESCOc1cc(NC(=O)COc2ccc(C(C)=O)cc2OC)ncn1
InChIInChI=1S/C16H17N3O5/c1-10(20)11-4-5-12(13(6-11)22-2)24-8-15(21)19-14-7-16(23-3)18-9-17-14/h4-7,9H,8H2,1-3H3,(H,17,18,19,21)
InChIKeyMGJCRDDIYXXESF-UHFFFAOYSA-N
XLogP1.71
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[(4,6-Dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2570985
3-cyclopentyloxy-4-methoxy-N-pyrimidin-2-yl-benzamide
CID 9995708
3-methoxy-N-(4-methyl-2-pyridinyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 24818211
3-methoxy-N-(5-methyl-2-pyridinyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 25161695
3-methoxy-N-(3-methyl-2-pyridinyl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 25161972
2-(4-acetylphenoxy)-N-(2-((6-(piperidin-1-yl)pyrimidin-4-yl)oxy)ethyl)acetamide
CID 44069695
2-(4-acetyl-2-methoxyphenoxy)-N-(2-{[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxy}ethyl)acetamide
CID 44069701
2-(3,4-dimethoxyphenyl)-N-(6-morpholinopyrimidin-4-yl)acetamide
CID 71794824
2-(3,4-dimethoxyphenyl)-N-(6-(pyrrolidin-1-yl)pyrimidin-4-yl)acetamide
CID 71794904
2-(4-acetylphenoxy)-N-(6-(pyrrolidin-1-yl)pyrimidin-4-yl)acetamide
CID 71794922
2-(4-Acetyl-2-methoxyphenoxy)-1-(4-(5-methylpyrimidin-4-yl)piperazin-1-yl)ethanone
CID 71795068
2-(4-acetylphenoxy)-N-(6-(benzyloxy)pyrimidin-4-yl)acetamide
CID 71795799

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-(6-methoxypyrimidin-4-yl)acetamide?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-(6-methoxypyrimidin-4-yl)acetamide (CID 71795721) is 2-(4-acetyl-2-methoxyphenoxy)-N-(6-methoxypyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-N-(6-methoxypyrimidin-4-yl)acetamide?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-N-(6-methoxypyrimidin-4-yl)acetamide is COc1cc(NC(=O)COc2ccc(C(C)=O)cc2OC)ncn1.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-N-(6-methoxypyrimidin-4-yl)acetamide?
The InChIKey is MGJCRDDIYXXESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5/c1-10(20)11-4-5-12(13(6-11)22-2)24-8-15(21)19-14-7-16(23-3)18-9-17-14/h4-7,9H,8H2,1-3H3,(H,17,18,19,21).
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-N-(6-methoxypyrimidin-4-yl)acetamide?
2-(4-acetyl-2-methoxyphenoxy)-N-(6-methoxypyrimidin-4-yl)acetamide has a molecular weight of 331.33 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methoxyphenoxy)-N-(6-methoxypyrimidin-4-yl)acetamide is sourced from PubChem (CID 71795721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).