3-[(4-methoxybenzoyl)amino]-N-(2-methylpropyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzamide

C30H34N4O4 — CID 23796555

About 3-[(4-methoxybenzoyl)amino]-N-(2-methylpropyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzamide

3-[(4-methoxybenzoyl)amino]-N-(2-methylpropyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzamide (PubChem CID 23796555) has the molecular formula C30H34N4O4 and a molecular weight of 514.63 g/mol. Its IUPAC name is 3-[(4-methoxybenzoyl)amino]-N-(2-methylpropyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzamide.

Molecular Properties

• Compound Name: 3-[(4-methoxybenzoyl)amino]-N-(2-methylpropyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzamide
• PubChem CID: 23796555
• Molecular Formula: C30H34N4O4
• Molecular Weight: 514.63 g/mol
• Exact Mass: 514.26
• IUPAC Name: 3-[(4-methoxybenzoyl)amino]-N-(2-methylpropyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzamide
• SMILES: COc1ccc(C(=O)Nc2cc(C(=O)NCC(C)C)ccc2N2CC3CC(C2)c2cccc(=O)n2C3)cc1
• InChI: InChI=1S/C30H34N4O4/c1-19(2)15-31-29(36)22-9-12-27(25(14-22)32-30(37)21-7-10-24(38-3)11-8-21)33-16-20-13-23(18-33)26-5-4-6-28(35)34(26)17-20/h4-12,14,19-20,23H,13,15-18H2,1-3H3,(H,31,36)(H,32,37)
• InChIKey: ADCCPGOMWJWZQG-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 92.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.63
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxybenzoyl)amino]-N-(2-methylpropyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzamide?

The IUPAC name of 3-[(4-methoxybenzoyl)amino]-N-(2-methylpropyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzamide (CID 23796555) is 3-[(4-methoxybenzoyl)amino]-N-(2-methylpropyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzamide.

What is the SMILES notation for 3-[(4-methoxybenzoyl)amino]-N-(2-methylpropyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzamide?

The canonical SMILES for 3-[(4-methoxybenzoyl)amino]-N-(2-methylpropyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzamide is COc1ccc(C(=O)Nc2cc(C(=O)NCC(C)C)ccc2N2CC3CC(C2)c2cccc(=O)n2C3)cc1.

What is the InChIKey of 3-[(4-methoxybenzoyl)amino]-N-(2-methylpropyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzamide?

The InChIKey is ADCCPGOMWJWZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O4/c1-19(2)15-31-29(36)22-9-12-27(25(14-22)32-30(37)21-7-10-24(38-3)11-8-21)33-16-20-13-23(18-33)26-5-4-6-28(35)34(26)17-20/h4-12,14,19-20,23H,13,15-18H2,1-3H3,(H,31,36)(H,32,37).

What are the key properties of 3-[(4-methoxybenzoyl)amino]-N-(2-methylpropyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzamide?

3-[(4-methoxybenzoyl)amino]-N-(2-methylpropyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzamide has a molecular weight of 514.63 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-methoxybenzoyl)amino]-N-(2-methylpropyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzamide is sourced from PubChem (CID 23796555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).