2-(2,4-dimethyl-3,5-dioxo-2,4,7-triazabicyclo[4.2.0]oct-1(6)-en-7-yl)-N-(2-phenoxyphenyl)acetamide

C21H20N4O4 — CID 122642895

IUPAC2-(2,4-dimethyl-3,5-dioxo-2,4,7-triazabicyclo[4.2.0]oct-1(6)-en-7-yl)-N-(2-phenoxyphenyl)acetamide
SMILESCn1c2c(c(=O)n(C)c1=O)N(CC(=O)Nc1ccccc1Oc1ccccc1)C2
InChIInChI=1S/C21H20N4O4/c1-23-16-12-25(19(16)20(27)24(2)21(23)28)13-18(26)22-15-10-6-7-11-17(15)29-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H,22,26)
InChIKeyTWCOPVBHOFIZEB-UHFFFAOYSA-N
MW392.42 g/mol
LogP1.84
Rot. Bonds5

About 2-(2,4-dimethyl-3,5-dioxo-2,4,7-triazabicyclo[4.2.0]oct-1(6)-en-7-yl)-N-(2-phenoxyphenyl)acetamide

2-(2,4-dimethyl-3,5-dioxo-2,4,7-triazabicyclo[4.2.0]oct-1(6)-en-7-yl)-N-(2-phenoxyphenyl)acetamide (PubChem CID 122642895) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 2-(2,4-dimethyl-3,5-dioxo-2,4,7-triazabicyclo[4.2.0]oct-1(6)-en-7-yl)-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-3,5-dioxo-2,4,7-triazabicyclo[4.2.0]oct-1(6)-en-7-yl)-N-(2-phenoxyphenyl)acetamide
PubChem CID122642895
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name2-(2,4-dimethyl-3,5-dioxo-2,4,7-triazabicyclo[4.2.0]oct-1(6)-en-7-yl)-N-(2-phenoxyphenyl)acetamide
SMILESCn1c2c(c(=O)n(C)c1=O)N(CC(=O)Nc1ccccc1Oc1ccccc1)C2
InChIInChI=1S/C21H20N4O4/c1-23-16-12-25(19(16)20(27)24(2)21(23)28)13-18(26)22-15-10-6-7-11-17(15)29-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H,22,26)
InChIKeyTWCOPVBHOFIZEB-UHFFFAOYSA-N
XLogP1.84
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2,4-dimethyl-3,5-dioxo-2,4,7-triazabicyclo[4.2.0]oct-1(6)-en-7-yl)-N-(2-phenoxyphenyl)acetamide with MolForge

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Related Compounds

2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-phenoxyphenyl)acetamide
CID 8014768
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-phenoxyphenyl)acetamide
CID 7952314
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2-phenoxyphenyl)acetamide
CID 122278540
2-[(3R)-3-methylpiperidin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 8903480
ethyl 4-[2-oxo-2-(2-phenoxyanilino)ethyl]piperazine-1-carboxylate
CID 8932102
N-(2-phenoxyphenyl)-2-phenylacetamide
CID 1121260
2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)-N-(2-phenoxyphenyl)acetamide
CID 39677422
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-phenoxyphenyl)acetamide
CID 27197068
2-(pentylamino)-N-(2-phenoxyphenyl)acetamide
CID 109006006
2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-phenoxyphenyl)acetamide
CID 39920760
2-(2-methylmorpholin-4-yl)-N-(2-phenoxyphenyl)acetamide
CID 46677615
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 110877824

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-3,5-dioxo-2,4,7-triazabicyclo[4.2.0]oct-1(6)-en-7-yl)-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of 2-(2,4-dimethyl-3,5-dioxo-2,4,7-triazabicyclo[4.2.0]oct-1(6)-en-7-yl)-N-(2-phenoxyphenyl)acetamide (CID 122642895) is 2-(2,4-dimethyl-3,5-dioxo-2,4,7-triazabicyclo[4.2.0]oct-1(6)-en-7-yl)-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-3,5-dioxo-2,4,7-triazabicyclo[4.2.0]oct-1(6)-en-7-yl)-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(2,4-dimethyl-3,5-dioxo-2,4,7-triazabicyclo[4.2.0]oct-1(6)-en-7-yl)-N-(2-phenoxyphenyl)acetamide is Cn1c2c(c(=O)n(C)c1=O)N(CC(=O)Nc1ccccc1Oc1ccccc1)C2.
What is the InChIKey of 2-(2,4-dimethyl-3,5-dioxo-2,4,7-triazabicyclo[4.2.0]oct-1(6)-en-7-yl)-N-(2-phenoxyphenyl)acetamide?
The InChIKey is TWCOPVBHOFIZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-23-16-12-25(19(16)20(27)24(2)21(23)28)13-18(26)22-15-10-6-7-11-17(15)29-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H,22,26).
What are the key properties of 2-(2,4-dimethyl-3,5-dioxo-2,4,7-triazabicyclo[4.2.0]oct-1(6)-en-7-yl)-N-(2-phenoxyphenyl)acetamide?
2-(2,4-dimethyl-3,5-dioxo-2,4,7-triazabicyclo[4.2.0]oct-1(6)-en-7-yl)-N-(2-phenoxyphenyl)acetamide has a molecular weight of 392.42 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-3,5-dioxo-2,4,7-triazabicyclo[4.2.0]oct-1(6)-en-7-yl)-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 122642895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).