4-ethoxy-N-[3-methyl-1-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]-1-oxobutan-2-yl]benzamide

C26H33N3O4 — CID 55776697

About 4-ethoxy-N-[3-methyl-1-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]-1-oxobutan-2-yl]benzamide

4-ethoxy-N-[3-methyl-1-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]-1-oxobutan-2-yl]benzamide (PubChem CID 55776697) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is 4-ethoxy-N-[3-methyl-1-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]-1-oxobutan-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-ethoxy-N-[3-methyl-1-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]-1-oxobutan-2-yl]benzamide
• PubChem CID: 55776697
• Molecular Formula: C26H33N3O4
• Molecular Weight: 451.57 g/mol
• Exact Mass: 451.25
• IUPAC Name: 4-ethoxy-N-[3-methyl-1-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]-1-oxobutan-2-yl]benzamide
• SMILES: CCOc1ccc(C(=O)NC(C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)C(C)C)cc1
• InChI: InChI=1S/C26H33N3O4/c1-5-33-20-13-11-19(12-14-20)24(30)28-23(17(2)3)25(31)27-21-10-8-9-18(4)22(21)26(32)29-15-6-7-16-29/h8-14,17,23H,5-7,15-16H2,1-4H3,(H,27,31)(H,28,30)
• InChIKey: LHSONBGZODCACJ-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.57
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[3-methyl-1-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]-1-oxobutan-2-yl]benzamide?

The IUPAC name of 4-ethoxy-N-[3-methyl-1-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]-1-oxobutan-2-yl]benzamide (CID 55776697) is 4-ethoxy-N-[3-methyl-1-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]-1-oxobutan-2-yl]benzamide.

What is the SMILES notation for 4-ethoxy-N-[3-methyl-1-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]-1-oxobutan-2-yl]benzamide?

The canonical SMILES for 4-ethoxy-N-[3-methyl-1-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]-1-oxobutan-2-yl]benzamide is CCOc1ccc(C(=O)NC(C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)C(C)C)cc1.

What is the InChIKey of 4-ethoxy-N-[3-methyl-1-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]-1-oxobutan-2-yl]benzamide?

The InChIKey is LHSONBGZODCACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-5-33-20-13-11-19(12-14-20)24(30)28-23(17(2)3)25(31)27-21-10-8-9-18(4)22(21)26(32)29-15-6-7-16-29/h8-14,17,23H,5-7,15-16H2,1-4H3,(H,27,31)(H,28,30).

What are the key properties of 4-ethoxy-N-[3-methyl-1-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]-1-oxobutan-2-yl]benzamide?

4-ethoxy-N-[3-methyl-1-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]-1-oxobutan-2-yl]benzamide has a molecular weight of 451.57 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethoxy-N-[3-methyl-1-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 55776697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).