2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-[2-(2-phenoxyacetyl)hydrazinyl]butan-2-yl]benzamide

C28H30N4O6 — CID 3123980

About 2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-[2-(2-phenoxyacetyl)hydrazinyl]butan-2-yl]benzamide

2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-[2-(2-phenoxyacetyl)hydrazinyl]butan-2-yl]benzamide (PubChem CID 3123980) has the molecular formula C28H30N4O6 and a molecular weight of 518.57 g/mol. Its IUPAC name is 2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-[2-(2-phenoxyacetyl)hydrazinyl]butan-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-[2-(2-phenoxyacetyl)hydrazinyl]butan-2-yl]benzamide
• PubChem CID: 3123980
• Molecular Formula: C28H30N4O6
• Molecular Weight: 518.57 g/mol
• Exact Mass: 518.22
• IUPAC Name: 2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-[2-(2-phenoxyacetyl)hydrazinyl]butan-2-yl]benzamide
• SMILES: COc1ccc(C(=O)Nc2ccccc2C(=O)NC(C(=O)NNC(=O)COc2ccccc2)C(C)C)cc1
• InChI: InChI=1S/C28H30N4O6/c1-18(2)25(28(36)32-31-24(33)17-38-21-9-5-4-6-10-21)30-27(35)22-11-7-8-12-23(22)29-26(34)19-13-15-20(37-3)16-14-19/h4-16,18,25H,17H2,1-3H3,(H,29,34)(H,30,35)(H,31,33)(H,32,36)
• InChIKey: WAJYIFVIQGWFER-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 134.86 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.57
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-[2-(2-phenoxyacetyl)hydrazinyl]butan-2-yl]benzamide?

The IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-[2-(2-phenoxyacetyl)hydrazinyl]butan-2-yl]benzamide (CID 3123980) is 2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-[2-(2-phenoxyacetyl)hydrazinyl]butan-2-yl]benzamide.

What is the SMILES notation for 2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-[2-(2-phenoxyacetyl)hydrazinyl]butan-2-yl]benzamide?

The canonical SMILES for 2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-[2-(2-phenoxyacetyl)hydrazinyl]butan-2-yl]benzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)NC(C(=O)NNC(=O)COc2ccccc2)C(C)C)cc1.

What is the InChIKey of 2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-[2-(2-phenoxyacetyl)hydrazinyl]butan-2-yl]benzamide?

The InChIKey is WAJYIFVIQGWFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O6/c1-18(2)25(28(36)32-31-24(33)17-38-21-9-5-4-6-10-21)30-27(35)22-11-7-8-12-23(22)29-26(34)19-13-15-20(37-3)16-14-19/h4-16,18,25H,17H2,1-3H3,(H,29,34)(H,30,35)(H,31,33)(H,32,36).

What are the key properties of 2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-[2-(2-phenoxyacetyl)hydrazinyl]butan-2-yl]benzamide?

2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-[2-(2-phenoxyacetyl)hydrazinyl]butan-2-yl]benzamide has a molecular weight of 518.57 g/mol, XLogP of 2.93, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-[2-(2-phenoxyacetyl)hydrazinyl]butan-2-yl]benzamide is sourced from PubChem (CID 3123980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).