2-[3-[3-[2,2-diphenylethyl-[(E)-3-phenylprop-2-enyl]amino]propoxy]phenyl]acetamide

C34H36N2O2 — CID 10207449

About 2-[3-[3-[2,2-diphenylethyl-[(E)-3-phenylprop-2-enyl]amino]propoxy]phenyl]acetamide

2-[3-[3-[2,2-diphenylethyl-[(E)-3-phenylprop-2-enyl]amino]propoxy]phenyl]acetamide (PubChem CID 10207449) has the molecular formula C34H36N2O2 and a molecular weight of 504.67 g/mol. Its IUPAC name is 2-[3-[3-[2,2-diphenylethyl-[(E)-3-phenylprop-2-enyl]amino]propoxy]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[3-[3-[2,2-diphenylethyl-[(E)-3-phenylprop-2-enyl]amino]propoxy]phenyl]acetamide
• PubChem CID: 10207449
• Molecular Formula: C34H36N2O2
• Molecular Weight: 504.67 g/mol
• Exact Mass: 504.28
• IUPAC Name: 2-[3-[3-[2,2-diphenylethyl-[(E)-3-phenylprop-2-enyl]amino]propoxy]phenyl]acetamide
• SMILES: NC(=O)Cc1cccc(OCCCN(C/C=C/c2ccccc2)CC(c2ccccc2)c2ccccc2)c1
• InChI: InChI=1S/C34H36N2O2/c35-34(37)26-29-15-10-21-32(25-29)38-24-12-23-36(22-11-16-28-13-4-1-5-14-28)27-33(30-17-6-2-7-18-30)31-19-8-3-9-20-31/h1-11,13-21,25,33H,12,22-24,26-27H2,(H2,35,37)/b16-11+
• InChIKey: DHANQYIKHLMMBY-LFIBNONCSA-N
• XLogP: 6.33
• TPSA: 55.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 14
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.67
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[2,2-diphenylethyl-[(E)-3-phenylprop-2-enyl]amino]propoxy]phenyl]acetamide?

The IUPAC name of 2-[3-[3-[2,2-diphenylethyl-[(E)-3-phenylprop-2-enyl]amino]propoxy]phenyl]acetamide (CID 10207449) is 2-[3-[3-[2,2-diphenylethyl-[(E)-3-phenylprop-2-enyl]amino]propoxy]phenyl]acetamide.

What is the SMILES notation for 2-[3-[3-[2,2-diphenylethyl-[(E)-3-phenylprop-2-enyl]amino]propoxy]phenyl]acetamide?

The canonical SMILES for 2-[3-[3-[2,2-diphenylethyl-[(E)-3-phenylprop-2-enyl]amino]propoxy]phenyl]acetamide is NC(=O)Cc1cccc(OCCCN(C/C=C/c2ccccc2)CC(c2ccccc2)c2ccccc2)c1.

What is the InChIKey of 2-[3-[3-[2,2-diphenylethyl-[(E)-3-phenylprop-2-enyl]amino]propoxy]phenyl]acetamide?

The InChIKey is DHANQYIKHLMMBY-LFIBNONCSA-N. The full InChI is InChI=1S/C34H36N2O2/c35-34(37)26-29-15-10-21-32(25-29)38-24-12-23-36(22-11-16-28-13-4-1-5-14-28)27-33(30-17-6-2-7-18-30)31-19-8-3-9-20-31/h1-11,13-21,25,33H,12,22-24,26-27H2,(H2,35,37)/b16-11+.

What are the key properties of 2-[3-[3-[2,2-diphenylethyl-[(E)-3-phenylprop-2-enyl]amino]propoxy]phenyl]acetamide?

2-[3-[3-[2,2-diphenylethyl-[(E)-3-phenylprop-2-enyl]amino]propoxy]phenyl]acetamide has a molecular weight of 504.67 g/mol, XLogP of 6.33, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[2,2-diphenylethyl-[(E)-3-phenylprop-2-enyl]amino]propoxy]phenyl]acetamide is sourced from PubChem (CID 10207449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).