N-[2-[(2-amino-2-oxoethyl)-(3,3-diphenylpropyl)amino]-2-oxoethyl]-N-(3,3-diphenylpropyl)-2-(3,3-diphenylpropylamino)acetamide

C51H54N4O3 — CID 11158548

About N-[2-[(2-amino-2-oxoethyl)-(3,3-diphenylpropyl)amino]-2-oxoethyl]-N-(3,3-diphenylpropyl)-2-(3,3-diphenylpropylamino)acetamide

N-[2-[(2-amino-2-oxoethyl)-(3,3-diphenylpropyl)amino]-2-oxoethyl]-N-(3,3-diphenylpropyl)-2-(3,3-diphenylpropylamino)acetamide (PubChem CID 11158548) has the molecular formula C51H54N4O3 and a molecular weight of 771.02 g/mol. Its IUPAC name is N-[2-[(2-amino-2-oxoethyl)-(3,3-diphenylpropyl)amino]-2-oxoethyl]-N-(3,3-diphenylpropyl)-2-(3,3-diphenylpropylamino)acetamide.

Molecular Properties

• Compound Name: N-[2-[(2-amino-2-oxoethyl)-(3,3-diphenylpropyl)amino]-2-oxoethyl]-N-(3,3-diphenylpropyl)-2-(3,3-diphenylpropylamino)acetamide
• PubChem CID: 11158548
• Molecular Formula: C51H54N4O3
• Molecular Weight: 771.02 g/mol
• Exact Mass: 770.42
• IUPAC Name: N-[2-[(2-amino-2-oxoethyl)-(3,3-diphenylpropyl)amino]-2-oxoethyl]-N-(3,3-diphenylpropyl)-2-(3,3-diphenylpropylamino)acetamide
• SMILES: NC(=O)CN(CCC(c1ccccc1)c1ccccc1)C(=O)CN(CCC(c1ccccc1)c1ccccc1)C(=O)CNCCC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C51H54N4O3/c52-49(56)38-54(35-32-47(42-23-11-3-12-24-42)43-25-13-4-14-26-43)51(58)39-55(36-33-48(44-27-15-5-16-28-44)45-29-17-6-18-30-45)50(57)37-53-34-31-46(40-19-7-1-8-20-40)41-21-9-2-10-22-41/h1-30,46-48,53H,31-39H2,(H2,52,56)
• InChIKey: XSHACIVJJRGYDM-UHFFFAOYSA-N
• XLogP: 8.39
• TPSA: 95.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 21
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	771.02
LogP ≤ 5	8.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-2-oxoethyl)-(3,3-diphenylpropyl)amino]-2-oxoethyl]-N-(3,3-diphenylpropyl)-2-(3,3-diphenylpropylamino)acetamide?

The IUPAC name of N-[2-[(2-amino-2-oxoethyl)-(3,3-diphenylpropyl)amino]-2-oxoethyl]-N-(3,3-diphenylpropyl)-2-(3,3-diphenylpropylamino)acetamide (CID 11158548) is N-[2-[(2-amino-2-oxoethyl)-(3,3-diphenylpropyl)amino]-2-oxoethyl]-N-(3,3-diphenylpropyl)-2-(3,3-diphenylpropylamino)acetamide.

What is the SMILES notation for N-[2-[(2-amino-2-oxoethyl)-(3,3-diphenylpropyl)amino]-2-oxoethyl]-N-(3,3-diphenylpropyl)-2-(3,3-diphenylpropylamino)acetamide?

The canonical SMILES for N-[2-[(2-amino-2-oxoethyl)-(3,3-diphenylpropyl)amino]-2-oxoethyl]-N-(3,3-diphenylpropyl)-2-(3,3-diphenylpropylamino)acetamide is NC(=O)CN(CCC(c1ccccc1)c1ccccc1)C(=O)CN(CCC(c1ccccc1)c1ccccc1)C(=O)CNCCC(c1ccccc1)c1ccccc1.

What is the InChIKey of N-[2-[(2-amino-2-oxoethyl)-(3,3-diphenylpropyl)amino]-2-oxoethyl]-N-(3,3-diphenylpropyl)-2-(3,3-diphenylpropylamino)acetamide?

The InChIKey is XSHACIVJJRGYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H54N4O3/c52-49(56)38-54(35-32-47(42-23-11-3-12-24-42)43-25-13-4-14-26-43)51(58)39-55(36-33-48(44-27-15-5-16-28-44)45-29-17-6-18-30-45)50(57)37-53-34-31-46(40-19-7-1-8-20-40)41-21-9-2-10-22-41/h1-30,46-48,53H,31-39H2,(H2,52,56).

What are the key properties of N-[2-[(2-amino-2-oxoethyl)-(3,3-diphenylpropyl)amino]-2-oxoethyl]-N-(3,3-diphenylpropyl)-2-(3,3-diphenylpropylamino)acetamide?

N-[2-[(2-amino-2-oxoethyl)-(3,3-diphenylpropyl)amino]-2-oxoethyl]-N-(3,3-diphenylpropyl)-2-(3,3-diphenylpropylamino)acetamide has a molecular weight of 771.02 g/mol, XLogP of 8.39, 21 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2-amino-2-oxoethyl)-(3,3-diphenylpropyl)amino]-2-oxoethyl]-N-(3,3-diphenylpropyl)-2-(3,3-diphenylpropylamino)acetamide is sourced from PubChem (CID 11158548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).