N-(2,4-dimethylphenyl)-6-ethoxy-9-methyl-10-(2-methylphenyl)-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxamide

C29H31N3O4 — CID 71821228

About N-(2,4-dimethylphenyl)-6-ethoxy-9-methyl-10-(2-methylphenyl)-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxamide

N-(2,4-dimethylphenyl)-6-ethoxy-9-methyl-10-(2-methylphenyl)-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxamide (PubChem CID 71821228) has the molecular formula C29H31N3O4 and a molecular weight of 485.58 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-6-ethoxy-9-methyl-10-(2-methylphenyl)-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxamide.

Molecular Properties

• Compound Name: N-(2,4-dimethylphenyl)-6-ethoxy-9-methyl-10-(2-methylphenyl)-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxamide
• PubChem CID: 71821228
• Molecular Formula: C29H31N3O4
• Molecular Weight: 485.58 g/mol
• Exact Mass: 485.23
• IUPAC Name: N-(2,4-dimethylphenyl)-6-ethoxy-9-methyl-10-(2-methylphenyl)-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxamide
• SMILES: CCOc1cccc2c1OC1(C)C(C(=O)Nc3ccc(C)cc3C)C2NC(=O)N1c1ccccc1C
• InChI: InChI=1S/C29H31N3O4/c1-6-35-23-13-9-11-20-25-24(27(33)30-21-15-14-17(2)16-19(21)4)29(5,36-26(20)23)32(28(34)31-25)22-12-8-7-10-18(22)3/h7-16,24-25H,6H2,1-5H3,(H,30,33)(H,31,34)
• InChIKey: CQXDYLCXALMMDS-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.58
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-6-ethoxy-9-methyl-10-(2-methylphenyl)-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxamide?

The IUPAC name of N-(2,4-dimethylphenyl)-6-ethoxy-9-methyl-10-(2-methylphenyl)-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxamide (CID 71821228) is N-(2,4-dimethylphenyl)-6-ethoxy-9-methyl-10-(2-methylphenyl)-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxamide.

What is the SMILES notation for N-(2,4-dimethylphenyl)-6-ethoxy-9-methyl-10-(2-methylphenyl)-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxamide?

The canonical SMILES for N-(2,4-dimethylphenyl)-6-ethoxy-9-methyl-10-(2-methylphenyl)-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxamide is CCOc1cccc2c1OC1(C)C(C(=O)Nc3ccc(C)cc3C)C2NC(=O)N1c1ccccc1C.

What is the InChIKey of N-(2,4-dimethylphenyl)-6-ethoxy-9-methyl-10-(2-methylphenyl)-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxamide?

The InChIKey is CQXDYLCXALMMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O4/c1-6-35-23-13-9-11-20-25-24(27(33)30-21-15-14-17(2)16-19(21)4)29(5,36-26(20)23)32(28(34)31-25)22-12-8-7-10-18(22)3/h7-16,24-25H,6H2,1-5H3,(H,30,33)(H,31,34).

What are the key properties of N-(2,4-dimethylphenyl)-6-ethoxy-9-methyl-10-(2-methylphenyl)-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxamide?

N-(2,4-dimethylphenyl)-6-ethoxy-9-methyl-10-(2-methylphenyl)-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxamide has a molecular weight of 485.58 g/mol, XLogP of 5.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-dimethylphenyl)-6-ethoxy-9-methyl-10-(2-methylphenyl)-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxamide is sourced from PubChem (CID 71821228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).