4-[[2-(2-methoxyanilino)acetyl]amino]-N,N-dipropylbenzamide

C₂₂H₂₉N₃O₃ — CID 54817414

About 4-[[2-(2-methoxyanilino)acetyl]amino]-N,N-dipropylbenzamide

4-[[2-(2-methoxyanilino)acetyl]amino]-N,N-dipropylbenzamide (PubChem CID 54817414) has the molecular formula C₂₂H₂₉N₃O₃ and a molecular weight of 383.49 g/mol. Its IUPAC name is 4-[[2-(2-methoxyanilino)acetyl]amino]-N,N-dipropylbenzamide.

Molecular Properties

• Compound Name: 4-[[2-(2-methoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
• PubChem CID: 54817414
• Molecular Formula: C₂₂H₂₉N₃O₃
• Molecular Weight: 383.49 g/mol
• Exact Mass: 383.22
• IUPAC Name: 4-[[2-(2-methoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
• SMILES: CCCN(CCC)C(=O)c1ccc(NC(=O)CNc2ccccc2OC)cc1
• InChI: InChI=1S/C22H29N3O3/c1-4-14-25(15-5-2)22(27)17-10-12-18(13-11-17)24-21(26)16-23-19-8-6-7-9-20(19)28-3/h6-13,23H,4-5,14-16H2,1-3H3,(H,24,26)
• InChIKey: QAIXMSKKJKPPNS-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.49
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methoxyanilino)acetyl]amino]-N,N-dipropylbenzamide?

The IUPAC name of 4-[[2-(2-methoxyanilino)acetyl]amino]-N,N-dipropylbenzamide (CID 54817414) is 4-[[2-(2-methoxyanilino)acetyl]amino]-N,N-dipropylbenzamide.

What is the SMILES notation for 4-[[2-(2-methoxyanilino)acetyl]amino]-N,N-dipropylbenzamide?

The canonical SMILES for 4-[[2-(2-methoxyanilino)acetyl]amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(NC(=O)CNc2ccccc2OC)cc1.

What is the InChIKey of 4-[[2-(2-methoxyanilino)acetyl]amino]-N,N-dipropylbenzamide?

The InChIKey is QAIXMSKKJKPPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-4-14-25(15-5-2)22(27)17-10-12-18(13-11-17)24-21(26)16-23-19-8-6-7-9-20(19)28-3/h6-13,23H,4-5,14-16H2,1-3H3,(H,24,26).

What are the key properties of 4-[[2-(2-methoxyanilino)acetyl]amino]-N,N-dipropylbenzamide?

4-[[2-(2-methoxyanilino)acetyl]amino]-N,N-dipropylbenzamide has a molecular weight of 383.49 g/mol, XLogP of 4.01, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-(2-methoxyanilino)acetyl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 54817414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 54817414 — identifiers, structure, computed properties (public domain)

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