N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-propan-2-ylphenyl)acetamide

C34H36FN3O2 — CID 43821033

About N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-propan-2-ylphenyl)acetamide

N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 43821033) has the molecular formula C34H36FN3O2 and a molecular weight of 537.68 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-propan-2-ylphenyl)acetamide
• PubChem CID: 43821033
• Molecular Formula: C34H36FN3O2
• Molecular Weight: 537.68 g/mol
• Exact Mass: 537.28
• IUPAC Name: N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-propan-2-ylphenyl)acetamide
• SMILES: CC(C)c1ccc(C(C(=O)Nc2ccc(N(C)C)cc2)N(Cc2ccc(F)cc2)C(=O)Cc2ccccc2)cc1
• InChI: InChI=1S/C34H36FN3O2/c1-24(2)27-12-14-28(15-13-27)33(34(40)36-30-18-20-31(21-19-30)37(3)4)38(23-26-10-16-29(35)17-11-26)32(39)22-25-8-6-5-7-9-25/h5-21,24,33H,22-23H2,1-4H3,(H,36,40)
• InChIKey: LMRASJLMLKCLLG-UHFFFAOYSA-N
• XLogP: 6.97
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.68
LogP ≤ 5	6.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-propan-2-ylphenyl)acetamide?

The IUPAC name of N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-propan-2-ylphenyl)acetamide (CID 43821033) is N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-propan-2-ylphenyl)acetamide.

What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-propan-2-ylphenyl)acetamide?

The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(C(C(=O)Nc2ccc(N(C)C)cc2)N(Cc2ccc(F)cc2)C(=O)Cc2ccccc2)cc1.

What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-propan-2-ylphenyl)acetamide?

The InChIKey is LMRASJLMLKCLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36FN3O2/c1-24(2)27-12-14-28(15-13-27)33(34(40)36-30-18-20-31(21-19-30)37(3)4)38(23-26-10-16-29(35)17-11-26)32(39)22-25-8-6-5-7-9-25/h5-21,24,33H,22-23H2,1-4H3,(H,36,40).

What are the key properties of N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-propan-2-ylphenyl)acetamide?

N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 537.68 g/mol, XLogP of 6.97, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 43821033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).