2-[[2-(benzotriazol-1-yl)acetyl]-(2-morpholin-4-ylethyl)amino]-2-(3-methoxyphenyl)-N-(2-methylbutan-2-yl)acetamide

C28H38N6O4 — CID 3196207

About 2-[[2-(benzotriazol-1-yl)acetyl]-(2-morpholin-4-ylethyl)amino]-2-(3-methoxyphenyl)-N-(2-methylbutan-2-yl)acetamide

2-[[2-(benzotriazol-1-yl)acetyl]-(2-morpholin-4-ylethyl)amino]-2-(3-methoxyphenyl)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 3196207) has the molecular formula C28H38N6O4 and a molecular weight of 522.65 g/mol. Its IUPAC name is 2-[[2-(benzotriazol-1-yl)acetyl]-(2-morpholin-4-ylethyl)amino]-2-(3-methoxyphenyl)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(2-morpholin-4-ylethyl)amino]-2-(3-methoxyphenyl)-N-(2-methylbutan-2-yl)acetamide
• PubChem CID: 3196207
• Molecular Formula: C28H38N6O4
• Molecular Weight: 522.65 g/mol
• Exact Mass: 522.30
• IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(2-morpholin-4-ylethyl)amino]-2-(3-methoxyphenyl)-N-(2-methylbutan-2-yl)acetamide
• SMILES: CCC(C)(C)NC(=O)C(c1cccc(OC)c1)N(CCN1CCOCC1)C(=O)Cn1nnc2ccccc21
• InChI: InChI=1S/C28H38N6O4/c1-5-28(2,3)29-27(36)26(21-9-8-10-22(19-21)37-4)33(14-13-32-15-17-38-18-16-32)25(35)20-34-24-12-7-6-11-23(24)30-31-34/h6-12,19,26H,5,13-18,20H2,1-4H3,(H,29,36)
• InChIKey: WSKCMPLGGGUMJE-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 101.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.65
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-(2-morpholin-4-ylethyl)amino]-2-(3-methoxyphenyl)-N-(2-methylbutan-2-yl)acetamide?

The IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-(2-morpholin-4-ylethyl)amino]-2-(3-methoxyphenyl)-N-(2-methylbutan-2-yl)acetamide (CID 3196207) is 2-[[2-(benzotriazol-1-yl)acetyl]-(2-morpholin-4-ylethyl)amino]-2-(3-methoxyphenyl)-N-(2-methylbutan-2-yl)acetamide.

What is the SMILES notation for 2-[[2-(benzotriazol-1-yl)acetyl]-(2-morpholin-4-ylethyl)amino]-2-(3-methoxyphenyl)-N-(2-methylbutan-2-yl)acetamide?

The canonical SMILES for 2-[[2-(benzotriazol-1-yl)acetyl]-(2-morpholin-4-ylethyl)amino]-2-(3-methoxyphenyl)-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)C(c1cccc(OC)c1)N(CCN1CCOCC1)C(=O)Cn1nnc2ccccc21.

What is the InChIKey of 2-[[2-(benzotriazol-1-yl)acetyl]-(2-morpholin-4-ylethyl)amino]-2-(3-methoxyphenyl)-N-(2-methylbutan-2-yl)acetamide?

The InChIKey is WSKCMPLGGGUMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N6O4/c1-5-28(2,3)29-27(36)26(21-9-8-10-22(19-21)37-4)33(14-13-32-15-17-38-18-16-32)25(35)20-34-24-12-7-6-11-23(24)30-31-34/h6-12,19,26H,5,13-18,20H2,1-4H3,(H,29,36).

What are the key properties of 2-[[2-(benzotriazol-1-yl)acetyl]-(2-morpholin-4-ylethyl)amino]-2-(3-methoxyphenyl)-N-(2-methylbutan-2-yl)acetamide?

2-[[2-(benzotriazol-1-yl)acetyl]-(2-morpholin-4-ylethyl)amino]-2-(3-methoxyphenyl)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 522.65 g/mol, XLogP of 2.65, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(benzotriazol-1-yl)acetyl]-(2-morpholin-4-ylethyl)amino]-2-(3-methoxyphenyl)-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 3196207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).