2-(N-[2-(benzotriazol-1-yl)acetyl]-2,5-dimethoxyanilino)-N-(2-methylbutan-2-yl)-2-(5-methylfuran-2-yl)acetamide

C28H33N5O5 — CID 3198795

About 2-(N-[2-(benzotriazol-1-yl)acetyl]-2,5-dimethoxyanilino)-N-(2-methylbutan-2-yl)-2-(5-methylfuran-2-yl)acetamide

2-(N-[2-(benzotriazol-1-yl)acetyl]-2,5-dimethoxyanilino)-N-(2-methylbutan-2-yl)-2-(5-methylfuran-2-yl)acetamide (PubChem CID 3198795) has the molecular formula C28H33N5O5 and a molecular weight of 519.60 g/mol. Its IUPAC name is 2-(N-[2-(benzotriazol-1-yl)acetyl]-2,5-dimethoxyanilino)-N-(2-methylbutan-2-yl)-2-(5-methylfuran-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-(N-[2-(benzotriazol-1-yl)acetyl]-2,5-dimethoxyanilino)-N-(2-methylbutan-2-yl)-2-(5-methylfuran-2-yl)acetamide
• PubChem CID: 3198795
• Molecular Formula: C28H33N5O5
• Molecular Weight: 519.60 g/mol
• Exact Mass: 519.25
• IUPAC Name: 2-(N-[2-(benzotriazol-1-yl)acetyl]-2,5-dimethoxyanilino)-N-(2-methylbutan-2-yl)-2-(5-methylfuran-2-yl)acetamide
• SMILES: CCC(C)(C)NC(=O)C(c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1cc(OC)ccc1OC
• InChI: InChI=1S/C28H33N5O5/c1-7-28(3,4)29-27(35)26(24-14-12-18(2)38-24)33(22-16-19(36-5)13-15-23(22)37-6)25(34)17-32-21-11-9-8-10-20(21)30-31-32/h8-16,26H,7,17H2,1-6H3,(H,29,35)
• InChIKey: GJKARCKQMJCDKF-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 111.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.60
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-(benzotriazol-1-yl)acetyl]-2,5-dimethoxyanilino)-N-(2-methylbutan-2-yl)-2-(5-methylfuran-2-yl)acetamide?

The IUPAC name of 2-(N-[2-(benzotriazol-1-yl)acetyl]-2,5-dimethoxyanilino)-N-(2-methylbutan-2-yl)-2-(5-methylfuran-2-yl)acetamide (CID 3198795) is 2-(N-[2-(benzotriazol-1-yl)acetyl]-2,5-dimethoxyanilino)-N-(2-methylbutan-2-yl)-2-(5-methylfuran-2-yl)acetamide.

What is the SMILES notation for 2-(N-[2-(benzotriazol-1-yl)acetyl]-2,5-dimethoxyanilino)-N-(2-methylbutan-2-yl)-2-(5-methylfuran-2-yl)acetamide?

The canonical SMILES for 2-(N-[2-(benzotriazol-1-yl)acetyl]-2,5-dimethoxyanilino)-N-(2-methylbutan-2-yl)-2-(5-methylfuran-2-yl)acetamide is CCC(C)(C)NC(=O)C(c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1cc(OC)ccc1OC.

What is the InChIKey of 2-(N-[2-(benzotriazol-1-yl)acetyl]-2,5-dimethoxyanilino)-N-(2-methylbutan-2-yl)-2-(5-methylfuran-2-yl)acetamide?

The InChIKey is GJKARCKQMJCDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O5/c1-7-28(3,4)29-27(35)26(24-14-12-18(2)38-24)33(22-16-19(36-5)13-15-23(22)37-6)25(34)17-32-21-11-9-8-10-20(21)30-31-32/h8-16,26H,7,17H2,1-6H3,(H,29,35).

What are the key properties of 2-(N-[2-(benzotriazol-1-yl)acetyl]-2,5-dimethoxyanilino)-N-(2-methylbutan-2-yl)-2-(5-methylfuran-2-yl)acetamide?

2-(N-[2-(benzotriazol-1-yl)acetyl]-2,5-dimethoxyanilino)-N-(2-methylbutan-2-yl)-2-(5-methylfuran-2-yl)acetamide has a molecular weight of 519.60 g/mol, XLogP of 4.43, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(N-[2-(benzotriazol-1-yl)acetyl]-2,5-dimethoxyanilino)-N-(2-methylbutan-2-yl)-2-(5-methylfuran-2-yl)acetamide is sourced from PubChem (CID 3198795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).