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

C22H19N5O5 — CID 2998992

IUPAC2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide
SMILESCOc1cc2c(cc1NC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)oc1ccccc12
InChIInChI=1S/C22H19N5O5/c1-25-20-19(21(29)26(2)22(25)30)27(11-23-20)10-18(28)24-14-9-16-13(8-17(14)31-3)12-6-4-5-7-15(12)32-16/h4-9,11H,10H2,1-3H3,(H,24,28)
InChIKeyHSANNRKGAZVNFS-UHFFFAOYSA-N
MW433.42 g/mol
LogP1.98
Rot. Bonds4

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

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide (PubChem CID 2998992) has the molecular formula C22H19N5O5 and a molecular weight of 433.42 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide
PubChem CID2998992
Molecular FormulaC22H19N5O5
Molecular Weight433.42 g/mol
Exact Mass433.14
IUPAC Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide
SMILESCOc1cc2c(cc1NC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)oc1ccccc12
InChIInChI=1S/C22H19N5O5/c1-25-20-19(21(29)26(2)22(25)30)27(11-23-20)10-18(28)24-14-9-16-13(8-17(14)31-3)12-6-4-5-7-15(12)32-16/h4-9,11H,10H2,1-3H3,(H,24,28)
InChIKeyHSANNRKGAZVNFS-UHFFFAOYSA-N
XLogP1.98
TPSA113.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide?
The IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide (CID 2998992) is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide?
The canonical SMILES for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide is COc1cc2c(cc1NC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)oc1ccccc12.
What is the InChIKey of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide?
The InChIKey is HSANNRKGAZVNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O5/c1-25-20-19(21(29)26(2)22(25)30)27(11-23-20)10-18(28)24-14-9-16-13(8-17(14)31-3)12-6-4-5-7-15(12)32-16/h4-9,11H,10H2,1-3H3,(H,24,28).
What are the key properties of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide?
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide has a molecular weight of 433.42 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide is sourced from PubChem (CID 2998992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).