N-[2-(3-fluorophenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide

C16H17FN6O2 — CID 75479593

IUPACN-[2-(3-fluorophenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
SMILESCN(CC(=O)NCCOc1cccc(F)c1)c1ncnc2nc[nH]c12
InChIInChI=1S/C16H17FN6O2/c1-23(16-14-15(20-9-19-14)21-10-22-16)8-13(24)18-5-6-25-12-4-2-3-11(17)7-12/h2-4,7,9-10H,5-6,8H2,1H3,(H,18,24)(H,19,20,21,22)
InChIKeyFSNZVHRVEDMGEP-UHFFFAOYSA-N
MW344.35 g/mol
LogP1.12
Rot. Bonds7

About N-[2-(3-fluorophenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide

N-[2-(3-fluorophenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide (PubChem CID 75479593) has the molecular formula C16H17FN6O2 and a molecular weight of 344.35 g/mol. Its IUPAC name is N-[2-(3-fluorophenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
PubChem CID75479593
Molecular FormulaC16H17FN6O2
Molecular Weight344.35 g/mol
Exact Mass344.14
IUPAC NameN-[2-(3-fluorophenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
SMILESCN(CC(=O)NCCOc1cccc(F)c1)c1ncnc2nc[nH]c12
InChIInChI=1S/C16H17FN6O2/c1-23(16-14-15(20-9-19-14)21-10-22-16)8-13(24)18-5-6-25-12-4-2-3-11(17)7-12/h2-4,7,9-10H,5-6,8H2,1H3,(H,18,24)(H,19,20,21,22)
InChIKeyFSNZVHRVEDMGEP-UHFFFAOYSA-N
XLogP1.12
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(3-fluorophenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
The IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide (CID 75479593) is N-[2-(3-fluorophenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide.
What is the SMILES notation for N-[2-(3-fluorophenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
The canonical SMILES for N-[2-(3-fluorophenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide is CN(CC(=O)NCCOc1cccc(F)c1)c1ncnc2nc[nH]c12.
What is the InChIKey of N-[2-(3-fluorophenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
The InChIKey is FSNZVHRVEDMGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6O2/c1-23(16-14-15(20-9-19-14)21-10-22-16)8-13(24)18-5-6-25-12-4-2-3-11(17)7-12/h2-4,7,9-10H,5-6,8H2,1H3,(H,18,24)(H,19,20,21,22).
What are the key properties of N-[2-(3-fluorophenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
N-[2-(3-fluorophenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide has a molecular weight of 344.35 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide is sourced from PubChem (CID 75479593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).