2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-2-(4-hydroxyphenyl)-N-(2-methylbutan-2-yl)acetamide

C29H33N5O3 — CID 3198849

About 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-2-(4-hydroxyphenyl)-N-(2-methylbutan-2-yl)acetamide

2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-2-(4-hydroxyphenyl)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 3198849) has the molecular formula C29H33N5O3 and a molecular weight of 499.62 g/mol. Its IUPAC name is 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-2-(4-hydroxyphenyl)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-2-(4-hydroxyphenyl)-N-(2-methylbutan-2-yl)acetamide
• PubChem CID: 3198849
• Molecular Formula: C29H33N5O3
• Molecular Weight: 499.62 g/mol
• Exact Mass: 499.26
• IUPAC Name: 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-2-(4-hydroxyphenyl)-N-(2-methylbutan-2-yl)acetamide
• SMILES: CCc1ccccc1N(C(=O)Cn1nnc2ccccc21)C(C(=O)NC(C)(C)CC)c1ccc(O)cc1
• InChI: InChI=1S/C29H33N5O3/c1-5-20-11-7-9-13-24(20)34(26(36)19-33-25-14-10-8-12-23(25)31-32-33)27(21-15-17-22(35)18-16-21)28(37)30-29(3,4)6-2/h7-18,27,35H,5-6,19H2,1-4H3,(H,30,37)
• InChIKey: DOLXDMZMINDXDB-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 100.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.62
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-2-(4-hydroxyphenyl)-N-(2-methylbutan-2-yl)acetamide?

The IUPAC name of 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-2-(4-hydroxyphenyl)-N-(2-methylbutan-2-yl)acetamide (CID 3198849) is 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-2-(4-hydroxyphenyl)-N-(2-methylbutan-2-yl)acetamide.

What is the SMILES notation for 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-2-(4-hydroxyphenyl)-N-(2-methylbutan-2-yl)acetamide?

The canonical SMILES for 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-2-(4-hydroxyphenyl)-N-(2-methylbutan-2-yl)acetamide is CCc1ccccc1N(C(=O)Cn1nnc2ccccc21)C(C(=O)NC(C)(C)CC)c1ccc(O)cc1.

What is the InChIKey of 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-2-(4-hydroxyphenyl)-N-(2-methylbutan-2-yl)acetamide?

The InChIKey is DOLXDMZMINDXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O3/c1-5-20-11-7-9-13-24(20)34(26(36)19-33-25-14-10-8-12-23(25)31-32-33)27(21-15-17-22(35)18-16-21)28(37)30-29(3,4)6-2/h7-18,27,35H,5-6,19H2,1-4H3,(H,30,37).

What are the key properties of 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-2-(4-hydroxyphenyl)-N-(2-methylbutan-2-yl)acetamide?

2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-2-(4-hydroxyphenyl)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 499.62 g/mol, XLogP of 4.78, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-ethylanilino)-2-(4-hydroxyphenyl)-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 3198849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).