5-[(2,2-diphenylacetyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)benzamide

C40H40N4O3 — CID 3900419

About 5-[(2,2-diphenylacetyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)benzamide

5-[(2,2-diphenylacetyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)benzamide (PubChem CID 3900419) has the molecular formula C40H40N4O3 and a molecular weight of 624.79 g/mol. Its IUPAC name is 5-[(2,2-diphenylacetyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)benzamide.

Molecular Properties

• Compound Name: 5-[(2,2-diphenylacetyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)benzamide
• PubChem CID: 3900419
• Molecular Formula: C40H40N4O3
• Molecular Weight: 624.79 g/mol
• Exact Mass: 624.31
• IUPAC Name: 5-[(2,2-diphenylacetyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)benzamide
• SMILES: COc1ccccc1N1CCN(c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2C(=O)NC(C)c2ccccc2)CC1
• InChI: InChI=1S/C40H40N4O3/c1-29(30-14-6-3-7-15-30)41-39(45)34-28-33(42-40(46)38(31-16-8-4-9-17-31)32-18-10-5-11-19-32)22-23-35(34)43-24-26-44(27-25-43)36-20-12-13-21-37(36)47-2/h3-23,28-29,38H,24-27H2,1-2H3,(H,41,45)(H,42,46)
• InChIKey: NSBGMOPRCQSRRL-UHFFFAOYSA-N
• XLogP: 7.28
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.79
LogP ≤ 5	7.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-diphenylacetyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)benzamide?

The IUPAC name of 5-[(2,2-diphenylacetyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)benzamide (CID 3900419) is 5-[(2,2-diphenylacetyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)benzamide.

What is the SMILES notation for 5-[(2,2-diphenylacetyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)benzamide?

The canonical SMILES for 5-[(2,2-diphenylacetyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)benzamide is COc1ccccc1N1CCN(c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2C(=O)NC(C)c2ccccc2)CC1.

What is the InChIKey of 5-[(2,2-diphenylacetyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)benzamide?

The InChIKey is NSBGMOPRCQSRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H40N4O3/c1-29(30-14-6-3-7-15-30)41-39(45)34-28-33(42-40(46)38(31-16-8-4-9-17-31)32-18-10-5-11-19-32)22-23-35(34)43-24-26-44(27-25-43)36-20-12-13-21-37(36)47-2/h3-23,28-29,38H,24-27H2,1-2H3,(H,41,45)(H,42,46).

What are the key properties of 5-[(2,2-diphenylacetyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)benzamide?

5-[(2,2-diphenylacetyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)benzamide has a molecular weight of 624.79 g/mol, XLogP of 7.28, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2,2-diphenylacetyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 3900419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).