2-phenoxy-N-(7H-purin-8-yl)acetamide

C13H11N5O2 — CID 54396894

IUPAC2-phenoxy-N-(7H-purin-8-yl)acetamide
SMILESO=C(COc1ccccc1)Nc1nc2ncncc2[nH]1
InChIInChI=1S/C13H11N5O2/c19-11(7-20-9-4-2-1-3-5-9)17-13-16-10-6-14-8-15-12(10)18-13/h1-6,8H,7H2,(H2,14,15,16,17,18,19)
InChIKeyVKPXICFWJMRPJQ-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.37
Rot. Bonds4

About 2-phenoxy-N-(7H-purin-8-yl)acetamide

2-phenoxy-N-(7H-purin-8-yl)acetamide (PubChem CID 54396894) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-phenoxy-N-(7H-purin-8-yl)acetamide.

Molecular Properties

Compound Name2-phenoxy-N-(7H-purin-8-yl)acetamide
PubChem CID54396894
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Name2-phenoxy-N-(7H-purin-8-yl)acetamide
SMILESO=C(COc1ccccc1)Nc1nc2ncncc2[nH]1
InChIInChI=1S/C13H11N5O2/c19-11(7-20-9-4-2-1-3-5-9)17-13-16-10-6-14-8-15-12(10)18-13/h1-6,8H,7H2,(H2,14,15,16,17,18,19)
InChIKeyVKPXICFWJMRPJQ-UHFFFAOYSA-N
XLogP1.37
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-phenoxy-N-(7H-purin-8-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-diamino-6-chloro-N-[N'-[4-[4-[2-oxo-2-(7H-purin-8-ylamino)ethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide
CID 11599273
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide
CID 83093509
2-(3-aminophenoxy)-N-(1H-benzimidazol-2-yl)acetamide
CID 63565380
2-phenoxy-N-purin-9-ylacetamide
CID 57240515
N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide
CID 17420392
N-(1H-benzimidazol-2-yl)-2-(2-hydroxyphenoxy)acetamide
CID 60629393
2-phenoxy-N-(2-phenylpyrimidin-5-yl)acetamide
CID 17407421
N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyacetamide
CID 47148567
N-(5-bromo-2-pyridinyl)-2-phenoxyacetamide
CID 780284
3-[2-[(2-phenoxyacetyl)amino]-1,3-thiazol-5-yl]prop-2-enoic acid
CID 76907671
N-(6-fluoro-3-pyridinyl)-2-phenoxyacetamide
CID 103789815
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(7H-purin-8-yl)acetamide?
The IUPAC name of 2-phenoxy-N-(7H-purin-8-yl)acetamide (CID 54396894) is 2-phenoxy-N-(7H-purin-8-yl)acetamide.
What is the SMILES notation for 2-phenoxy-N-(7H-purin-8-yl)acetamide?
The canonical SMILES for 2-phenoxy-N-(7H-purin-8-yl)acetamide is O=C(COc1ccccc1)Nc1nc2ncncc2[nH]1.
What is the InChIKey of 2-phenoxy-N-(7H-purin-8-yl)acetamide?
The InChIKey is VKPXICFWJMRPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c19-11(7-20-9-4-2-1-3-5-9)17-13-16-10-6-14-8-15-12(10)18-13/h1-6,8H,7H2,(H2,14,15,16,17,18,19).
What are the key properties of 2-phenoxy-N-(7H-purin-8-yl)acetamide?
2-phenoxy-N-(7H-purin-8-yl)acetamide has a molecular weight of 269.26 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(7H-purin-8-yl)acetamide is sourced from PubChem (CID 54396894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).