N,N-dimethyl-4-[[2-(3-propoxyanilino)acetyl]amino]benzamide

C₂₀H₂₅N₃O₃ — CID 36860927

About N,N-dimethyl-4-[[2-(3-propoxyanilino)acetyl]amino]benzamide

N,N-dimethyl-4-[[2-(3-propoxyanilino)acetyl]amino]benzamide (PubChem CID 36860927) has the molecular formula C₂₀H₂₅N₃O₃ and a molecular weight of 355.44 g/mol. Its IUPAC name is N,N-dimethyl-4-[[2-(3-propoxyanilino)acetyl]amino]benzamide.

Molecular Properties

• Compound Name: N,N-dimethyl-4-[[2-(3-propoxyanilino)acetyl]amino]benzamide
• PubChem CID: 36860927
• Molecular Formula: C₂₀H₂₅N₃O₃
• Molecular Weight: 355.44 g/mol
• Exact Mass: 355.19
• IUPAC Name: N,N-dimethyl-4-[[2-(3-propoxyanilino)acetyl]amino]benzamide
• SMILES: CCCOc1cccc(NCC(=O)Nc2ccc(C(=O)N(C)C)cc2)c1
• InChI: InChI=1S/C20H25N3O3/c1-4-12-26-18-7-5-6-17(13-18)21-14-19(24)22-16-10-8-15(9-11-16)20(25)23(2)3/h5-11,13,21H,4,12,14H2,1-3H3,(H,22,24)
• InChIKey: MVLWNKWRGMAKGS-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.44
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[2-(3-propoxyanilino)acetyl]amino]benzamide?

The IUPAC name of N,N-dimethyl-4-[[2-(3-propoxyanilino)acetyl]amino]benzamide (CID 36860927) is N,N-dimethyl-4-[[2-(3-propoxyanilino)acetyl]amino]benzamide.

What is the SMILES notation for N,N-dimethyl-4-[[2-(3-propoxyanilino)acetyl]amino]benzamide?

The canonical SMILES for N,N-dimethyl-4-[[2-(3-propoxyanilino)acetyl]amino]benzamide is CCCOc1cccc(NCC(=O)Nc2ccc(C(=O)N(C)C)cc2)c1.

What is the InChIKey of N,N-dimethyl-4-[[2-(3-propoxyanilino)acetyl]amino]benzamide?

The InChIKey is MVLWNKWRGMAKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-4-12-26-18-7-5-6-17(13-18)21-14-19(24)22-16-10-8-15(9-11-16)20(25)23(2)3/h5-11,13,21H,4,12,14H2,1-3H3,(H,22,24).

What are the key properties of N,N-dimethyl-4-[[2-(3-propoxyanilino)acetyl]amino]benzamide?

N,N-dimethyl-4-[[2-(3-propoxyanilino)acetyl]amino]benzamide has a molecular weight of 355.44 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-4-[[2-(3-propoxyanilino)acetyl]amino]benzamide is sourced from PubChem (CID 36860927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 36860927 — identifiers, structure, computed properties (public domain)

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