N-(2,6-dimethylphenyl)-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide;ethane;11-methyl-N-(2,4,6-trimethylphenyl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide

C39H44N8O4 — CID 143746614

About N-(2,6-dimethylphenyl)-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide;ethane;11-methyl-N-(2,4,6-trimethylphenyl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide

N-(2,6-dimethylphenyl)-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide;ethane;11-methyl-N-(2,4,6-trimethylphenyl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide (PubChem CID 143746614) has the molecular formula C39H44N8O4 and a molecular weight of 688.83 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide;ethane;11-methyl-N-(2,4,6-trimethylphenyl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide.

Molecular Properties

• Compound Name: N-(2,6-dimethylphenyl)-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide;ethane;11-methyl-N-(2,4,6-trimethylphenyl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide
• PubChem CID: 143746614
• Molecular Formula: C39H44N8O4
• Molecular Weight: 688.83 g/mol
• Exact Mass: 688.35
• IUPAC Name: N-(2,6-dimethylphenyl)-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide;ethane;11-methyl-N-(2,4,6-trimethylphenyl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide
• SMILES: CC.Cc1cc(C)c(NC(=O)c2c(C)oc3c2C2=NCCN2C=N3)c(C)c1.Cc1cccc(C)c1NC(=O)c1c(C)oc2c1C1=NCCN1C=N2
• InChI: InChI=1S/C19H20N4O2.C18H18N4O2.C2H6/c1-10-7-11(2)16(12(3)8-10)22-18(24)14-13(4)25-19-15(14)17-20-5-6-23(17)9-21-19;1-10-5-4-6-11(2)15(10)21-17(23)13-12(3)24-18-14(13)16-19-7-8-22(16)9-20-18;1-2/h7-9H,5-6H2,1-4H3,(H,22,24);4-6,9H,7-8H2,1-3H3,(H,21,23);1-2H3
• InChIKey: SNNJWYDLRLOISE-UHFFFAOYSA-N
• XLogP: 7.72
• TPSA: 140.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	688.83
LogP ≤ 5	7.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide;ethane;11-methyl-N-(2,4,6-trimethylphenyl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide?

The IUPAC name of N-(2,6-dimethylphenyl)-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide;ethane;11-methyl-N-(2,4,6-trimethylphenyl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide (CID 143746614) is N-(2,6-dimethylphenyl)-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide;ethane;11-methyl-N-(2,4,6-trimethylphenyl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide.

What is the SMILES notation for N-(2,6-dimethylphenyl)-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide;ethane;11-methyl-N-(2,4,6-trimethylphenyl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide?

The canonical SMILES for N-(2,6-dimethylphenyl)-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide;ethane;11-methyl-N-(2,4,6-trimethylphenyl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide is CC.Cc1cc(C)c(NC(=O)c2c(C)oc3c2C2=NCCN2C=N3)c(C)c1.Cc1cccc(C)c1NC(=O)c1c(C)oc2c1C1=NCCN1C=N2.

What is the InChIKey of N-(2,6-dimethylphenyl)-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide;ethane;11-methyl-N-(2,4,6-trimethylphenyl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide?

The InChIKey is SNNJWYDLRLOISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2.C18H18N4O2.C2H6/c1-10-7-11(2)16(12(3)8-10)22-18(24)14-13(4)25-19-15(14)17-20-5-6-23(17)9-21-19;1-10-5-4-6-11(2)15(10)21-17(23)13-12(3)24-18-14(13)16-19-7-8-22(16)9-20-18;1-2/h7-9H,5-6H2,1-4H3,(H,22,24);4-6,9H,7-8H2,1-3H3,(H,21,23);1-2H3.

What are the key properties of N-(2,6-dimethylphenyl)-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide;ethane;11-methyl-N-(2,4,6-trimethylphenyl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide?

N-(2,6-dimethylphenyl)-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide;ethane;11-methyl-N-(2,4,6-trimethylphenyl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide has a molecular weight of 688.83 g/mol, XLogP of 7.72, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-dimethylphenyl)-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide;ethane;11-methyl-N-(2,4,6-trimethylphenyl)-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide is sourced from PubChem (CID 143746614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).