2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(4-ethylphenyl)acetamide

C17H19N5O3 — CID 975372

IUPAC2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)Cn2cnc3c(=O)n(C)c(=O)n(C)c32)cc1
InChIInChI=1S/C17H19N5O3/c1-4-11-5-7-12(8-6-11)19-13(23)9-22-10-18-14-15(22)20(2)17(25)21(3)16(14)24/h5-8,10H,4,9H2,1-3H3,(H,19,23)
InChIKeyZIDZEFUSZSULDI-UHFFFAOYSA-N
MW341.37 g/mol
LogP0.63
Rot. Bonds4

About 2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(4-ethylphenyl)acetamide

2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(4-ethylphenyl)acetamide (PubChem CID 975372) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(4-ethylphenyl)acetamide
PubChem CID975372
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)Cn2cnc3c(=O)n(C)c(=O)n(C)c32)cc1
InChIInChI=1S/C17H19N5O3/c1-4-11-5-7-12(8-6-11)19-13(23)9-22-10-18-14-15(22)20(2)17(25)21(3)16(14)24/h5-8,10H,4,9H2,1-3H3,(H,19,23)
InChIKeyZIDZEFUSZSULDI-UHFFFAOYSA-N
XLogP0.63
TPSA90.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(4-ethylphenyl)acetamide (CID 975372) is 2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)Cn2cnc3c(=O)n(C)c(=O)n(C)c32)cc1.
What is the InChIKey of 2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(4-ethylphenyl)acetamide?
The InChIKey is ZIDZEFUSZSULDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-4-11-5-7-12(8-6-11)19-13(23)9-22-10-18-14-15(22)20(2)17(25)21(3)16(14)24/h5-8,10H,4,9H2,1-3H3,(H,19,23).
What are the key properties of 2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(4-ethylphenyl)acetamide?
2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(4-ethylphenyl)acetamide has a molecular weight of 341.37 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 975372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).