2-propoxy-N-(7H-purin-6-yl)benzamide

C15H15N5O2 — CID 118727401

IUPAC2-propoxy-N-(7H-purin-6-yl)benzamide
SMILESCCCOc1ccccc1C(=O)Nc1ncnc2nc[nH]c12
InChIInChI=1S/C15H15N5O2/c1-2-7-22-11-6-4-3-5-10(11)15(21)20-14-12-13(17-8-16-12)18-9-19-14/h3-6,8-9H,2,7H2,1H3,(H2,16,17,18,19,20,21)
InChIKeyXUYRYPPBIGXRMY-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.39
Rot. Bonds5

About 2-propoxy-N-(7H-purin-6-yl)benzamide

2-propoxy-N-(7H-purin-6-yl)benzamide (PubChem CID 118727401) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-propoxy-N-(7H-purin-6-yl)benzamide.

Molecular Properties

Compound Name2-propoxy-N-(7H-purin-6-yl)benzamide
PubChem CID118727401
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name2-propoxy-N-(7H-purin-6-yl)benzamide
SMILESCCCOc1ccccc1C(=O)Nc1ncnc2nc[nH]c12
InChIInChI=1S/C15H15N5O2/c1-2-7-22-11-6-4-3-5-10(11)15(21)20-14-12-13(17-8-16-12)18-9-19-14/h3-6,8-9H,2,7H2,1H3,(H2,16,17,18,19,20,21)
InChIKeyXUYRYPPBIGXRMY-UHFFFAOYSA-N
XLogP2.39
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propoxy-N-(7H-purin-6-yl)benzamide?
The IUPAC name of 2-propoxy-N-(7H-purin-6-yl)benzamide (CID 118727401) is 2-propoxy-N-(7H-purin-6-yl)benzamide.
What is the SMILES notation for 2-propoxy-N-(7H-purin-6-yl)benzamide?
The canonical SMILES for 2-propoxy-N-(7H-purin-6-yl)benzamide is CCCOc1ccccc1C(=O)Nc1ncnc2nc[nH]c12.
What is the InChIKey of 2-propoxy-N-(7H-purin-6-yl)benzamide?
The InChIKey is XUYRYPPBIGXRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-2-7-22-11-6-4-3-5-10(11)15(21)20-14-12-13(17-8-16-12)18-9-19-14/h3-6,8-9H,2,7H2,1H3,(H2,16,17,18,19,20,21).
What are the key properties of 2-propoxy-N-(7H-purin-6-yl)benzamide?
2-propoxy-N-(7H-purin-6-yl)benzamide has a molecular weight of 297.32 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-N-(7H-purin-6-yl)benzamide is sourced from PubChem (CID 118727401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).