N-(2-amino-2-oxoethyl)-N-[1-chloro-2-(4-chlorophenyl)ethyl]-2-[4-[1-chloro-2-(4-chlorophenyl)ethyl]-3,6-dioxo-1-[2-(4-phenylphenyl)ethyl]piperazin-2-yl]acetamide

C38H36Cl4N4O4 — CID 68750348

About N-(2-amino-2-oxoethyl)-N-[1-chloro-2-(4-chlorophenyl)ethyl]-2-[4-[1-chloro-2-(4-chlorophenyl)ethyl]-3,6-dioxo-1-[2-(4-phenylphenyl)ethyl]piperazin-2-yl]acetamide

N-(2-amino-2-oxoethyl)-N-[1-chloro-2-(4-chlorophenyl)ethyl]-2-[4-[1-chloro-2-(4-chlorophenyl)ethyl]-3,6-dioxo-1-[2-(4-phenylphenyl)ethyl]piperazin-2-yl]acetamide (PubChem CID 68750348) has the molecular formula C38H36Cl4N4O4 and a molecular weight of 754.54 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-[1-chloro-2-(4-chlorophenyl)ethyl]-2-[4-[1-chloro-2-(4-chlorophenyl)ethyl]-3,6-dioxo-1-[2-(4-phenylphenyl)ethyl]piperazin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-amino-2-oxoethyl)-N-[1-chloro-2-(4-chlorophenyl)ethyl]-2-[4-[1-chloro-2-(4-chlorophenyl)ethyl]-3,6-dioxo-1-[2-(4-phenylphenyl)ethyl]piperazin-2-yl]acetamide
• PubChem CID: 68750348
• Molecular Formula: C38H36Cl4N4O4
• Molecular Weight: 754.54 g/mol
• Exact Mass: 752.15
• IUPAC Name: N-(2-amino-2-oxoethyl)-N-[1-chloro-2-(4-chlorophenyl)ethyl]-2-[4-[1-chloro-2-(4-chlorophenyl)ethyl]-3,6-dioxo-1-[2-(4-phenylphenyl)ethyl]piperazin-2-yl]acetamide
• SMILES: NC(=O)CN(C(=O)CC1C(=O)N(C(Cl)Cc2ccc(Cl)cc2)CC(=O)N1CCc1ccc(-c2ccccc2)cc1)C(Cl)Cc1ccc(Cl)cc1
• InChI: InChI=1S/C38H36Cl4N4O4/c39-30-14-8-26(9-15-30)20-33(41)45(23-35(43)47)36(48)22-32-38(50)46(34(42)21-27-10-16-31(40)17-11-27)24-37(49)44(32)19-18-25-6-12-29(13-7-25)28-4-2-1-3-5-28/h1-17,32-34H,18-24H2,(H2,43,47)
• InChIKey: RUQBLJDUIXPZIN-UHFFFAOYSA-N
• XLogP: 6.56
• TPSA: 104.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	754.54
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-[1-chloro-2-(4-chlorophenyl)ethyl]-2-[4-[1-chloro-2-(4-chlorophenyl)ethyl]-3,6-dioxo-1-[2-(4-phenylphenyl)ethyl]piperazin-2-yl]acetamide?

The IUPAC name of N-(2-amino-2-oxoethyl)-N-[1-chloro-2-(4-chlorophenyl)ethyl]-2-[4-[1-chloro-2-(4-chlorophenyl)ethyl]-3,6-dioxo-1-[2-(4-phenylphenyl)ethyl]piperazin-2-yl]acetamide (CID 68750348) is N-(2-amino-2-oxoethyl)-N-[1-chloro-2-(4-chlorophenyl)ethyl]-2-[4-[1-chloro-2-(4-chlorophenyl)ethyl]-3,6-dioxo-1-[2-(4-phenylphenyl)ethyl]piperazin-2-yl]acetamide.

What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-[1-chloro-2-(4-chlorophenyl)ethyl]-2-[4-[1-chloro-2-(4-chlorophenyl)ethyl]-3,6-dioxo-1-[2-(4-phenylphenyl)ethyl]piperazin-2-yl]acetamide?

The canonical SMILES for N-(2-amino-2-oxoethyl)-N-[1-chloro-2-(4-chlorophenyl)ethyl]-2-[4-[1-chloro-2-(4-chlorophenyl)ethyl]-3,6-dioxo-1-[2-(4-phenylphenyl)ethyl]piperazin-2-yl]acetamide is NC(=O)CN(C(=O)CC1C(=O)N(C(Cl)Cc2ccc(Cl)cc2)CC(=O)N1CCc1ccc(-c2ccccc2)cc1)C(Cl)Cc1ccc(Cl)cc1.

What is the InChIKey of N-(2-amino-2-oxoethyl)-N-[1-chloro-2-(4-chlorophenyl)ethyl]-2-[4-[1-chloro-2-(4-chlorophenyl)ethyl]-3,6-dioxo-1-[2-(4-phenylphenyl)ethyl]piperazin-2-yl]acetamide?

The InChIKey is RUQBLJDUIXPZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36Cl4N4O4/c39-30-14-8-26(9-15-30)20-33(41)45(23-35(43)47)36(48)22-32-38(50)46(34(42)21-27-10-16-31(40)17-11-27)24-37(49)44(32)19-18-25-6-12-29(13-7-25)28-4-2-1-3-5-28/h1-17,32-34H,18-24H2,(H2,43,47).

What are the key properties of N-(2-amino-2-oxoethyl)-N-[1-chloro-2-(4-chlorophenyl)ethyl]-2-[4-[1-chloro-2-(4-chlorophenyl)ethyl]-3,6-dioxo-1-[2-(4-phenylphenyl)ethyl]piperazin-2-yl]acetamide?

N-(2-amino-2-oxoethyl)-N-[1-chloro-2-(4-chlorophenyl)ethyl]-2-[4-[1-chloro-2-(4-chlorophenyl)ethyl]-3,6-dioxo-1-[2-(4-phenylphenyl)ethyl]piperazin-2-yl]acetamide has a molecular weight of 754.54 g/mol, XLogP of 6.56, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-2-oxoethyl)-N-[1-chloro-2-(4-chlorophenyl)ethyl]-2-[4-[1-chloro-2-(4-chlorophenyl)ethyl]-3,6-dioxo-1-[2-(4-phenylphenyl)ethyl]piperazin-2-yl]acetamide is sourced from PubChem (CID 68750348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).