2-[benzyl-(2-phenylacetyl)amino]-2-cyclohex-3-en-1-yl-N-[4-(dimethylamino)phenyl]acetamide

C31H35N3O2 — CID 43820896

About 2-[benzyl-(2-phenylacetyl)amino]-2-cyclohex-3-en-1-yl-N-[4-(dimethylamino)phenyl]acetamide

2-[benzyl-(2-phenylacetyl)amino]-2-cyclohex-3-en-1-yl-N-[4-(dimethylamino)phenyl]acetamide (PubChem CID 43820896) has the molecular formula C31H35N3O2 and a molecular weight of 481.64 g/mol. Its IUPAC name is 2-[benzyl-(2-phenylacetyl)amino]-2-cyclohex-3-en-1-yl-N-[4-(dimethylamino)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[benzyl-(2-phenylacetyl)amino]-2-cyclohex-3-en-1-yl-N-[4-(dimethylamino)phenyl]acetamide
• PubChem CID: 43820896
• Molecular Formula: C31H35N3O2
• Molecular Weight: 481.64 g/mol
• Exact Mass: 481.27
• IUPAC Name: 2-[benzyl-(2-phenylacetyl)amino]-2-cyclohex-3-en-1-yl-N-[4-(dimethylamino)phenyl]acetamide
• SMILES: CN(C)c1ccc(NC(=O)C(C2CC=CCC2)N(Cc2ccccc2)C(=O)Cc2ccccc2)cc1
• InChI: InChI=1S/C31H35N3O2/c1-33(2)28-20-18-27(19-21-28)32-31(36)30(26-16-10-5-11-17-26)34(23-25-14-8-4-9-15-25)29(35)22-24-12-6-3-7-13-24/h3-10,12-15,18-21,26,30H,11,16-17,22-23H2,1-2H3,(H,32,36)
• InChIKey: FCYMXUVHZBFJGY-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.64
LogP ≤ 5	5.69
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2-phenylacetyl)amino]-2-cyclohex-3-en-1-yl-N-[4-(dimethylamino)phenyl]acetamide?

The IUPAC name of 2-[benzyl-(2-phenylacetyl)amino]-2-cyclohex-3-en-1-yl-N-[4-(dimethylamino)phenyl]acetamide (CID 43820896) is 2-[benzyl-(2-phenylacetyl)amino]-2-cyclohex-3-en-1-yl-N-[4-(dimethylamino)phenyl]acetamide.

What is the SMILES notation for 2-[benzyl-(2-phenylacetyl)amino]-2-cyclohex-3-en-1-yl-N-[4-(dimethylamino)phenyl]acetamide?

The canonical SMILES for 2-[benzyl-(2-phenylacetyl)amino]-2-cyclohex-3-en-1-yl-N-[4-(dimethylamino)phenyl]acetamide is CN(C)c1ccc(NC(=O)C(C2CC=CCC2)N(Cc2ccccc2)C(=O)Cc2ccccc2)cc1.

What is the InChIKey of 2-[benzyl-(2-phenylacetyl)amino]-2-cyclohex-3-en-1-yl-N-[4-(dimethylamino)phenyl]acetamide?

The InChIKey is FCYMXUVHZBFJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O2/c1-33(2)28-20-18-27(19-21-28)32-31(36)30(26-16-10-5-11-17-26)34(23-25-14-8-4-9-15-25)29(35)22-24-12-6-3-7-13-24/h3-10,12-15,18-21,26,30H,11,16-17,22-23H2,1-2H3,(H,32,36).

What are the key properties of 2-[benzyl-(2-phenylacetyl)amino]-2-cyclohex-3-en-1-yl-N-[4-(dimethylamino)phenyl]acetamide?

2-[benzyl-(2-phenylacetyl)amino]-2-cyclohex-3-en-1-yl-N-[4-(dimethylamino)phenyl]acetamide has a molecular weight of 481.64 g/mol, XLogP of 5.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[benzyl-(2-phenylacetyl)amino]-2-cyclohex-3-en-1-yl-N-[4-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 43820896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).