2-[7-(2-methoxyethyl)-8-methyl-2,6-dioxo-3-propylpurin-1-yl]-N-phenylacetamide

C20H25N5O4 — CID 26057512

IUPAC2-[7-(2-methoxyethyl)-8-methyl-2,6-dioxo-3-propylpurin-1-yl]-N-phenylacetamide
SMILESCCCn1c(=O)n(CC(=O)Nc2ccccc2)c(=O)c2c1nc(C)n2CCOC
InChIInChI=1S/C20H25N5O4/c1-4-10-24-18-17(23(11-12-29-3)14(2)21-18)19(27)25(20(24)28)13-16(26)22-15-8-6-5-7-9-15/h5-9H,4,10-13H2,1-3H3,(H,22,26)
InChIKeyWFLRVGBJKJRLTL-UHFFFAOYSA-N
MW399.45 g/mol
LogP1.36
Rot. Bonds8

About 2-[7-(2-methoxyethyl)-8-methyl-2,6-dioxo-3-propylpurin-1-yl]-N-phenylacetamide

2-[7-(2-methoxyethyl)-8-methyl-2,6-dioxo-3-propylpurin-1-yl]-N-phenylacetamide (PubChem CID 26057512) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-[7-(2-methoxyethyl)-8-methyl-2,6-dioxo-3-propylpurin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[7-(2-methoxyethyl)-8-methyl-2,6-dioxo-3-propylpurin-1-yl]-N-phenylacetamide
PubChem CID26057512
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Name2-[7-(2-methoxyethyl)-8-methyl-2,6-dioxo-3-propylpurin-1-yl]-N-phenylacetamide
SMILESCCCn1c(=O)n(CC(=O)Nc2ccccc2)c(=O)c2c1nc(C)n2CCOC
InChIInChI=1S/C20H25N5O4/c1-4-10-24-18-17(23(11-12-29-3)14(2)21-18)19(27)25(20(24)28)13-16(26)22-15-8-6-5-7-9-15/h5-9H,4,10-13H2,1-3H3,(H,22,26)
InChIKeyWFLRVGBJKJRLTL-UHFFFAOYSA-N
XLogP1.36
TPSA100.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxopurin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide
CID 4040421
2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propylpurin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 55480119
2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxopurin-1-yl]-N-(3-cyanophenyl)acetamide
CID 4839038
7-(4-aminobutyl)-3-(2-methoxyethyl)-1,8-dimethylpurine-2,6-dione
CID 82465968
2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxopurin-1-yl]-N-(2-fluorophenyl)acetamide
CID 3933075
2-(3,7-dibenzyl-2,6-dioxopurin-1-yl)-N-(4-ethylphenyl)acetamide
CID 112773973
2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 2610667
methyl 3-(2-anilino-2-oxoethyl)-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250645
2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxopurin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide
CID 26643088
methyl 4-[[2-[1-ethyl-3-methyl-5,7-dioxo-6-(2-phenylethyl)pyrazolo[4,5-d]pyrimidin-4-yl]acetyl]amino]benzoate
CID 53050810
2-[3-(2-methoxyethoxy)propylamino]-N-phenylacetamide
CID 103605722
2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-phenylacetamide
CID 121118093

Frequently Asked Questions

What is the IUPAC name of 2-[7-(2-methoxyethyl)-8-methyl-2,6-dioxo-3-propylpurin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[7-(2-methoxyethyl)-8-methyl-2,6-dioxo-3-propylpurin-1-yl]-N-phenylacetamide (CID 26057512) is 2-[7-(2-methoxyethyl)-8-methyl-2,6-dioxo-3-propylpurin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[7-(2-methoxyethyl)-8-methyl-2,6-dioxo-3-propylpurin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[7-(2-methoxyethyl)-8-methyl-2,6-dioxo-3-propylpurin-1-yl]-N-phenylacetamide is CCCn1c(=O)n(CC(=O)Nc2ccccc2)c(=O)c2c1nc(C)n2CCOC.
What is the InChIKey of 2-[7-(2-methoxyethyl)-8-methyl-2,6-dioxo-3-propylpurin-1-yl]-N-phenylacetamide?
The InChIKey is WFLRVGBJKJRLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4/c1-4-10-24-18-17(23(11-12-29-3)14(2)21-18)19(27)25(20(24)28)13-16(26)22-15-8-6-5-7-9-15/h5-9H,4,10-13H2,1-3H3,(H,22,26).
What are the key properties of 2-[7-(2-methoxyethyl)-8-methyl-2,6-dioxo-3-propylpurin-1-yl]-N-phenylacetamide?
2-[7-(2-methoxyethyl)-8-methyl-2,6-dioxo-3-propylpurin-1-yl]-N-phenylacetamide has a molecular weight of 399.45 g/mol, XLogP of 1.36, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2-methoxyethyl)-8-methyl-2,6-dioxo-3-propylpurin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 26057512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).