N-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]-2-phenylacetamide

C17H17N5O4 — CID 16567061

IUPACN-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]-2-phenylacetamide
SMILESCn1c(=O)c2c(ncn2CC(=O)NC(=O)Cc2ccccc2)n(C)c1=O
InChIInChI=1S/C17H17N5O4/c1-20-15-14(16(25)21(2)17(20)26)22(10-18-15)9-13(24)19-12(23)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,19,23,24)
InChIKeyYHZYUOFVIRUSEU-UHFFFAOYSA-N
MW355.35 g/mol
LogP-0.68
Rot. Bonds4

About N-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]-2-phenylacetamide

N-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]-2-phenylacetamide (PubChem CID 16567061) has the molecular formula C17H17N5O4 and a molecular weight of 355.35 g/mol. Its IUPAC name is N-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]-2-phenylacetamide
PubChem CID16567061
Molecular FormulaC17H17N5O4
Molecular Weight355.35 g/mol
Exact Mass355.13
IUPAC NameN-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]-2-phenylacetamide
SMILESCn1c(=O)c2c(ncn2CC(=O)NC(=O)Cc2ccccc2)n(C)c1=O
InChIInChI=1S/C17H17N5O4/c1-20-15-14(16(25)21(2)17(20)26)22(10-18-15)9-13(24)19-12(23)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,19,23,24)
InChIKeyYHZYUOFVIRUSEU-UHFFFAOYSA-N
XLogP-0.68
TPSA107.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-benzyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide
CID 41221076
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-phenoxyethyl)acetamide
CID 27234230
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,2-diphenylpropyl)acetamide;methane
CID 161164511
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-propan-2-ylacetamide
CID 694655
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 742942
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 1250074
N-(2-cyanophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 798673
[2-oxo-2-(2-phenylanilino)ethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
CID 23991166
benzyl-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-dimethylazanium
CID 10434822
N-[2-(5-benzyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 45497695
7-[2-(2-fluorophenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
CID 7856335
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide;yttrium
CID 88570004

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]-2-phenylacetamide?
The IUPAC name of N-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]-2-phenylacetamide (CID 16567061) is N-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]-2-phenylacetamide is Cn1c(=O)c2c(ncn2CC(=O)NC(=O)Cc2ccccc2)n(C)c1=O.
What is the InChIKey of N-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]-2-phenylacetamide?
The InChIKey is YHZYUOFVIRUSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4/c1-20-15-14(16(25)21(2)17(20)26)22(10-18-15)9-13(24)19-12(23)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,19,23,24).
What are the key properties of N-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]-2-phenylacetamide?
N-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]-2-phenylacetamide has a molecular weight of 355.35 g/mol, XLogP of -0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]-2-phenylacetamide is sourced from PubChem (CID 16567061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).