2-(4-acetylphenoxy)-N-(6-phenylmethoxypyrimidin-4-yl)acetamide

C21H19N3O4 — CID 71795799

IUPAC2-(4-acetylphenoxy)-N-(6-phenylmethoxypyrimidin-4-yl)acetamide
SMILESCC(=O)c1ccc(OCC(=O)Nc2cc(OCc3ccccc3)ncn2)cc1
InChIInChI=1S/C21H19N3O4/c1-15(25)17-7-9-18(10-8-17)27-13-20(26)24-19-11-21(23-14-22-19)28-12-16-5-3-2-4-6-16/h2-11,14H,12-13H2,1H3,(H,22,23,24,26)
InChIKeyHFDWZFIULOQPJS-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.28
Rot. Bonds8

About 2-(4-acetylphenoxy)-N-(6-phenylmethoxypyrimidin-4-yl)acetamide

2-(4-acetylphenoxy)-N-(6-phenylmethoxypyrimidin-4-yl)acetamide (PubChem CID 71795799) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-(6-phenylmethoxypyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-(6-phenylmethoxypyrimidin-4-yl)acetamide
PubChem CID71795799
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name2-(4-acetylphenoxy)-N-(6-phenylmethoxypyrimidin-4-yl)acetamide
SMILESCC(=O)c1ccc(OCC(=O)Nc2cc(OCc3ccccc3)ncn2)cc1
InChIInChI=1S/C21H19N3O4/c1-15(25)17-7-9-18(10-8-17)27-13-20(26)24-19-11-21(23-14-22-19)28-12-16-5-3-2-4-6-16/h2-11,14H,12-13H2,1H3,(H,22,23,24,26)
InChIKeyHFDWZFIULOQPJS-UHFFFAOYSA-N
XLogP3.28
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-(6-phenylmethoxypyrimidin-4-yl)acetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-(6-phenylmethoxypyrimidin-4-yl)acetamide (CID 71795799) is 2-(4-acetylphenoxy)-N-(6-phenylmethoxypyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-(6-phenylmethoxypyrimidin-4-yl)acetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-(6-phenylmethoxypyrimidin-4-yl)acetamide is CC(=O)c1ccc(OCC(=O)Nc2cc(OCc3ccccc3)ncn2)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-(6-phenylmethoxypyrimidin-4-yl)acetamide?
The InChIKey is HFDWZFIULOQPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-15(25)17-7-9-18(10-8-17)27-13-20(26)24-19-11-21(23-14-22-19)28-12-16-5-3-2-4-6-16/h2-11,14H,12-13H2,1H3,(H,22,23,24,26).
What are the key properties of 2-(4-acetylphenoxy)-N-(6-phenylmethoxypyrimidin-4-yl)acetamide?
2-(4-acetylphenoxy)-N-(6-phenylmethoxypyrimidin-4-yl)acetamide has a molecular weight of 377.40 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-(6-phenylmethoxypyrimidin-4-yl)acetamide is sourced from PubChem (CID 71795799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).