N-(2-methoxyphenyl)-5-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

C26H27N3O4 — CID 73133753

About N-(2-methoxyphenyl)-5-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

N-(2-methoxyphenyl)-5-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide (PubChem CID 73133753) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-5-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide.

Molecular Properties

• Compound Name: N-(2-methoxyphenyl)-5-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
• PubChem CID: 73133753
• Molecular Formula: C26H27N3O4
• Molecular Weight: 445.52 g/mol
• Exact Mass: 445.20
• IUPAC Name: N-(2-methoxyphenyl)-5-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
• SMILES: COc1ccc(-c2ccc3n(c2=O)CC2CC3CN(C(=O)Nc3ccccc3OC)C2)cc1
• InChI: InChI=1S/C26H27N3O4/c1-32-20-9-7-18(8-10-20)21-11-12-23-19-13-17(15-29(23)25(21)30)14-28(16-19)26(31)27-22-5-3-4-6-24(22)33-2/h3-12,17,19H,13-16H2,1-2H3,(H,27,31)
• InChIKey: ZWIBDBHNJVYNDV-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 72.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.52
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-5-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?

The IUPAC name of N-(2-methoxyphenyl)-5-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide (CID 73133753) is N-(2-methoxyphenyl)-5-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide.

What is the SMILES notation for N-(2-methoxyphenyl)-5-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?

The canonical SMILES for N-(2-methoxyphenyl)-5-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide is COc1ccc(-c2ccc3n(c2=O)CC2CC3CN(C(=O)Nc3ccccc3OC)C2)cc1.

What is the InChIKey of N-(2-methoxyphenyl)-5-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?

The InChIKey is ZWIBDBHNJVYNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-32-20-9-7-18(8-10-20)21-11-12-23-19-13-17(15-29(23)25(21)30)14-28(16-19)26(31)27-22-5-3-4-6-24(22)33-2/h3-12,17,19H,13-16H2,1-2H3,(H,27,31).

What are the key properties of N-(2-methoxyphenyl)-5-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?

N-(2-methoxyphenyl)-5-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyphenyl)-5-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide is sourced from PubChem (CID 73133753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).