2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-phenylethyl)acetamide

C17H19N5O3 — CID 3126541

IUPAC2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1
InChIInChI=1S/C17H19N5O3/c1-11(12-7-5-4-6-8-12)19-13(23)9-22-10-18-15-14(22)16(24)21(3)17(25)20(15)2/h4-8,10-11H,9H2,1-3H3,(H,19,23)
InChIKeySPQPDLQZBMJMKB-UHFFFAOYSA-N
MW341.37 g/mol
LogP0.31
Rot. Bonds4

About 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-phenylethyl)acetamide

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-phenylethyl)acetamide (PubChem CID 3126541) 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-7-yl)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-phenylethyl)acetamide
PubChem CID3126541
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1
InChIInChI=1S/C17H19N5O3/c1-11(12-7-5-4-6-8-12)19-13(23)9-22-10-18-15-14(22)16(24)21(3)17(25)20(15)2/h4-8,10-11H,9H2,1-3H3,(H,19,23)
InChIKeySPQPDLQZBMJMKB-UHFFFAOYSA-N
XLogP0.31
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 ≤ 50.31
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-7-yl)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-phenylethyl)acetamide (CID 3126541) is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-phenylethyl)acetamide is CC(NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1.
What is the InChIKey of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-phenylethyl)acetamide?
The InChIKey is SPQPDLQZBMJMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-11(12-7-5-4-6-8-12)19-13(23)9-22-10-18-15-14(22)16(24)21(3)17(25)20(15)2/h4-8,10-11H,9H2,1-3H3,(H,19,23).
What are the key properties of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-phenylethyl)acetamide?
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-phenylethyl)acetamide has a molecular weight of 341.37 g/mol, XLogP of 0.31, 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-7-yl)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 3126541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).