(2R)-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)acetamide

C34H34FN3O3 — CID 98460831

About (2R)-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)acetamide

(2R)-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 98460831) has the molecular formula C34H34FN3O3 and a molecular weight of 551.66 g/mol. Its IUPAC name is (2R)-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

• Compound Name: (2R)-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)acetamide
• PubChem CID: 98460831
• Molecular Formula: C34H34FN3O3
• Molecular Weight: 551.66 g/mol
• Exact Mass: 551.26
• IUPAC Name: (2R)-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)acetamide
• SMILES: Cc1ccc([C@H](C(=O)Nc2ccc(N3CCOCC3)cc2)N(Cc2ccc(F)cc2)C(=O)Cc2ccccc2)cc1
• InChI: InChI=1S/C34H34FN3O3/c1-25-7-11-28(12-8-25)33(34(40)36-30-15-17-31(18-16-30)37-19-21-41-22-20-37)38(24-27-9-13-29(35)14-10-27)32(39)23-26-5-3-2-4-6-26/h2-18,33H,19-24H2,1H3,(H,36,40)/t33-/m1/s1
• InChIKey: UGGYMPPUQJTMND-MGBGTMOVSA-N
• XLogP: 5.92
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.66
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)acetamide?

The IUPAC name of (2R)-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)acetamide (CID 98460831) is (2R)-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)acetamide.

What is the SMILES notation for (2R)-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)acetamide?

The canonical SMILES for (2R)-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)acetamide is Cc1ccc([C@H](C(=O)Nc2ccc(N3CCOCC3)cc2)N(Cc2ccc(F)cc2)C(=O)Cc2ccccc2)cc1.

What is the InChIKey of (2R)-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)acetamide?

The InChIKey is UGGYMPPUQJTMND-MGBGTMOVSA-N. The full InChI is InChI=1S/C34H34FN3O3/c1-25-7-11-28(12-8-25)33(34(40)36-30-15-17-31(18-16-30)37-19-21-41-22-20-37)38(24-27-9-13-29(35)14-10-27)32(39)23-26-5-3-2-4-6-26/h2-18,33H,19-24H2,1H3,(H,36,40)/t33-/m1/s1.

What are the key properties of (2R)-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)acetamide?

(2R)-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 551.66 g/mol, XLogP of 5.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 98460831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).