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

C21H19N5O3 — CID 26727406

IUPAC2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylphenyl)acetamide
SMILESCn1cnc2c1c(=O)n(CC(=O)Nc1ccccc1-c1ccccc1)c(=O)n2C
InChIInChI=1S/C21H19N5O3/c1-24-13-22-19-18(24)20(28)26(21(29)25(19)2)12-17(27)23-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,23,27)
InChIKeyRCHJNGSLHAIRIR-UHFFFAOYSA-N
MW389.42 g/mol
LogP1.74
Rot. Bonds4

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

2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylphenyl)acetamide (PubChem CID 26727406) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylphenyl)acetamide
PubChem CID26727406
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylphenyl)acetamide
SMILESCn1cnc2c1c(=O)n(CC(=O)Nc1ccccc1-c1ccccc1)c(=O)n2C
InChIInChI=1S/C21H19N5O3/c1-24-13-22-19-18(24)20(28)26(21(29)25(19)2)12-17(27)23-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,23,27)
InChIKeyRCHJNGSLHAIRIR-UHFFFAOYSA-N
XLogP1.74
TPSA90.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylphenyl)acetamide (CID 26727406) is 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylphenyl)acetamide is Cn1cnc2c1c(=O)n(CC(=O)Nc1ccccc1-c1ccccc1)c(=O)n2C.
What is the InChIKey of 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylphenyl)acetamide?
The InChIKey is RCHJNGSLHAIRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-24-13-22-19-18(24)20(28)26(21(29)25(19)2)12-17(27)23-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,23,27).
What are the key properties of 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylphenyl)acetamide?
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylphenyl)acetamide has a molecular weight of 389.42 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 26727406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).