2-(3-phenoxyphenoxy)-N-pyrimidin-2-ylacetamide

C18H15N3O3 — CID 2348112

IUPAC2-(3-phenoxyphenoxy)-N-pyrimidin-2-ylacetamide
SMILESO=C(COc1cccc(Oc2ccccc2)c1)Nc1ncccn1
InChIInChI=1S/C18H15N3O3/c22-17(21-18-19-10-5-11-20-18)13-23-15-8-4-9-16(12-15)24-14-6-2-1-3-7-14/h1-12H,13H2,(H,19,20,21,22)
InChIKeyJBPOWMPLLDXBQO-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.29
Rot. Bonds6

About 2-(3-phenoxyphenoxy)-N-pyrimidin-2-ylacetamide

2-(3-phenoxyphenoxy)-N-pyrimidin-2-ylacetamide (PubChem CID 2348112) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 2-(3-phenoxyphenoxy)-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-(3-phenoxyphenoxy)-N-pyrimidin-2-ylacetamide
PubChem CID2348112
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name2-(3-phenoxyphenoxy)-N-pyrimidin-2-ylacetamide
SMILESO=C(COc1cccc(Oc2ccccc2)c1)Nc1ncccn1
InChIInChI=1S/C18H15N3O3/c22-17(21-18-19-10-5-11-20-18)13-23-15-8-4-9-16(12-15)24-14-6-2-1-3-7-14/h1-12H,13H2,(H,19,20,21,22)
InChIKeyJBPOWMPLLDXBQO-UHFFFAOYSA-N
XLogP3.29
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenoxyphenoxy)-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-(3-phenoxyphenoxy)-N-pyrimidin-2-ylacetamide (CID 2348112) is 2-(3-phenoxyphenoxy)-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-(3-phenoxyphenoxy)-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-(3-phenoxyphenoxy)-N-pyrimidin-2-ylacetamide is O=C(COc1cccc(Oc2ccccc2)c1)Nc1ncccn1.
What is the InChIKey of 2-(3-phenoxyphenoxy)-N-pyrimidin-2-ylacetamide?
The InChIKey is JBPOWMPLLDXBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c22-17(21-18-19-10-5-11-20-18)13-23-15-8-4-9-16(12-15)24-14-6-2-1-3-7-14/h1-12H,13H2,(H,19,20,21,22).
What are the key properties of 2-(3-phenoxyphenoxy)-N-pyrimidin-2-ylacetamide?
2-(3-phenoxyphenoxy)-N-pyrimidin-2-ylacetamide has a molecular weight of 321.34 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxyphenoxy)-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 2348112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).