2-(2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide

C23H20N6O5 — CID 11633991

IUPAC2-(2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide
SMILESCN1C(=O)NC(=O)C12Cc1ccc(NC(=O)Cn3c(=O)n4c5c(cccc53)NC(=O)C4)cc1C2
InChIInChI=1S/C23H20N6O5/c1-27-21(33)26-20(32)23(27)8-12-5-6-14(7-13(12)9-23)24-17(30)10-28-16-4-2-3-15-19(16)29(22(28)34)11-18(31)25-15/h2-7H,8-11H2,1H3,(H,24,30)(H,25,31)(H,26,32,33)
InChIKeyZAMUDFHSMUEORA-UHFFFAOYSA-N
MW460.45 g/mol
LogP0.41
Rot. Bonds3

About 2-(2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide

2-(2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide (PubChem CID 11633991) has the molecular formula C23H20N6O5 and a molecular weight of 460.45 g/mol. Its IUPAC name is 2-(2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide.

Molecular Properties

Compound Name2-(2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide
PubChem CID11633991
Molecular FormulaC23H20N6O5
Molecular Weight460.45 g/mol
Exact Mass460.15
IUPAC Name2-(2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide
SMILESCN1C(=O)NC(=O)C12Cc1ccc(NC(=O)Cn3c(=O)n4c5c(cccc53)NC(=O)C4)cc1C2
InChIInChI=1S/C23H20N6O5/c1-27-21(33)26-20(32)23(27)8-12-5-6-14(7-13(12)9-23)24-17(30)10-28-16-4-2-3-15-19(16)29(22(28)34)11-18(31)25-15/h2-7H,8-11H2,1H3,(H,24,30)(H,25,31)(H,26,32,33)
InChIKeyZAMUDFHSMUEORA-UHFFFAOYSA-N
XLogP0.41
TPSA134.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.45
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 2-(2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide?
The IUPAC name of 2-(2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide (CID 11633991) is 2-(2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide.
What is the SMILES notation for 2-(2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide?
The canonical SMILES for 2-(2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide is CN1C(=O)NC(=O)C12Cc1ccc(NC(=O)Cn3c(=O)n4c5c(cccc53)NC(=O)C4)cc1C2.
What is the InChIKey of 2-(2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide?
The InChIKey is ZAMUDFHSMUEORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O5/c1-27-21(33)26-20(32)23(27)8-12-5-6-14(7-13(12)9-23)24-17(30)10-28-16-4-2-3-15-19(16)29(22(28)34)11-18(31)25-15/h2-7H,8-11H2,1H3,(H,24,30)(H,25,31)(H,26,32,33).
What are the key properties of 2-(2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide?
2-(2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide has a molecular weight of 460.45 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide is sourced from PubChem (CID 11633991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).