2-phenoxy-N-purin-9-ylacetamide

C13H11N5O2 — CID 57240515

IUPAC2-phenoxy-N-purin-9-ylacetamide
SMILESO=C(COc1ccccc1)Nn1cnc2cncnc21
InChIInChI=1S/C13H11N5O2/c19-12(7-20-10-4-2-1-3-5-10)17-18-9-16-11-6-14-8-15-13(11)18/h1-6,8-9H,7H2,(H,17,19)
InChIKeyCNZNHRWOQQVFCU-UHFFFAOYSA-N
MW269.26 g/mol
LogP0.98
Rot. Bonds4

About 2-phenoxy-N-purin-9-ylacetamide

2-phenoxy-N-purin-9-ylacetamide (PubChem CID 57240515) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-phenoxy-N-purin-9-ylacetamide.

Molecular Properties

Compound Name2-phenoxy-N-purin-9-ylacetamide
PubChem CID57240515
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Name2-phenoxy-N-purin-9-ylacetamide
SMILESO=C(COc1ccccc1)Nn1cnc2cncnc21
InChIInChI=1S/C13H11N5O2/c19-12(7-20-10-4-2-1-3-5-10)17-18-9-16-11-6-14-8-15-13(11)18/h1-6,8-9H,7H2,(H,17,19)
InChIKeyCNZNHRWOQQVFCU-UHFFFAOYSA-N
XLogP0.98
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(benzimidazol-1-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 34334460
2-phenoxy-N-(7H-purin-8-yl)acetamide
CID 54396894
2-(4-ethoxyphenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 18586679
N'-(2-phenoxyacetyl)propanehydrazide
CID 4508940
N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641
N'-chloro-2-phenoxyacetohydrazide
CID 174818653
[6-[(2-phenoxyacetyl)amino]purin-9-yl] acetate
CID 67614880
N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-2-phenoxyacetamide
CID 18886893
N-(2H-benzotriazol-4-yl)-2-phenoxyacetamide
CID 110732136
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
N-[2-(hydrazinecarbonyl)phenyl]-2-phenoxyacetamide
CID 10613129
N-(5-bromo-2-pyridinyl)-2-phenoxyacetamide
CID 780284

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-purin-9-ylacetamide?
The IUPAC name of 2-phenoxy-N-purin-9-ylacetamide (CID 57240515) is 2-phenoxy-N-purin-9-ylacetamide.
What is the SMILES notation for 2-phenoxy-N-purin-9-ylacetamide?
The canonical SMILES for 2-phenoxy-N-purin-9-ylacetamide is O=C(COc1ccccc1)Nn1cnc2cncnc21.
What is the InChIKey of 2-phenoxy-N-purin-9-ylacetamide?
The InChIKey is CNZNHRWOQQVFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c19-12(7-20-10-4-2-1-3-5-10)17-18-9-16-11-6-14-8-15-13(11)18/h1-6,8-9H,7H2,(H,17,19).
What are the key properties of 2-phenoxy-N-purin-9-ylacetamide?
2-phenoxy-N-purin-9-ylacetamide has a molecular weight of 269.26 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-purin-9-ylacetamide is sourced from PubChem (CID 57240515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).