N-dodecyl-2-[[2-hydroxy-3-[tetradecyl-[4-(tetradecylamino)butyl]amino]propyl]-(2-oxopentadecyl)amino]acetamide

C64H130N4O3 — CID 146409282

About N-dodecyl-2-[[2-hydroxy-3-[tetradecyl-[4-(tetradecylamino)butyl]amino]propyl]-(2-oxopentadecyl)amino]acetamide

N-dodecyl-2-[[2-hydroxy-3-[tetradecyl-[4-(tetradecylamino)butyl]amino]propyl]-(2-oxopentadecyl)amino]acetamide (PubChem CID 146409282) has the molecular formula C64H130N4O3 and a molecular weight of 1003.77 g/mol. Its IUPAC name is N-dodecyl-2-[[2-hydroxy-3-[tetradecyl-[4-(tetradecylamino)butyl]amino]propyl]-(2-oxopentadecyl)amino]acetamide.

Molecular Properties

• Compound Name: N-dodecyl-2-[[2-hydroxy-3-[tetradecyl-[4-(tetradecylamino)butyl]amino]propyl]-(2-oxopentadecyl)amino]acetamide
• PubChem CID: 146409282
• Molecular Formula: C64H130N4O3
• Molecular Weight: 1003.77 g/mol
• Exact Mass: 1003.01
• IUPAC Name: N-dodecyl-2-[[2-hydroxy-3-[tetradecyl-[4-(tetradecylamino)butyl]amino]propyl]-(2-oxopentadecyl)amino]acetamide
• SMILES: CCCCCCCCCCCCCCNCCCCN(CCCCCCCCCCCCCC)CC(O)CN(CC(=O)CCCCCCCCCCCCC)CC(=O)NCCCCCCCCCCCC
• InChI: InChI=1S/C64H130N4O3/c1-5-9-13-17-21-25-29-32-35-39-43-47-53-65-54-49-51-57-67(56-50-45-41-37-33-30-26-22-18-14-10-6-2)59-63(70)60-68(58-62(69)52-46-42-38-34-31-27-23-19-15-11-7-3)61-64(71)66-55-48-44-40-36-28-24-20-16-12-8-4/h63,65,70H,5-61H2,1-4H3,(H,66,71)
• InChIKey: QARUIYAGIAZNNJ-UHFFFAOYSA-N
• XLogP: 18.03
• TPSA: 84.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 62
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1003.77
LogP ≤ 5	18.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-2-[[2-hydroxy-3-[tetradecyl-[4-(tetradecylamino)butyl]amino]propyl]-(2-oxopentadecyl)amino]acetamide?

The IUPAC name of N-dodecyl-2-[[2-hydroxy-3-[tetradecyl-[4-(tetradecylamino)butyl]amino]propyl]-(2-oxopentadecyl)amino]acetamide (CID 146409282) is N-dodecyl-2-[[2-hydroxy-3-[tetradecyl-[4-(tetradecylamino)butyl]amino]propyl]-(2-oxopentadecyl)amino]acetamide.

What is the SMILES notation for N-dodecyl-2-[[2-hydroxy-3-[tetradecyl-[4-(tetradecylamino)butyl]amino]propyl]-(2-oxopentadecyl)amino]acetamide?

The canonical SMILES for N-dodecyl-2-[[2-hydroxy-3-[tetradecyl-[4-(tetradecylamino)butyl]amino]propyl]-(2-oxopentadecyl)amino]acetamide is CCCCCCCCCCCCCCNCCCCN(CCCCCCCCCCCCCC)CC(O)CN(CC(=O)CCCCCCCCCCCCC)CC(=O)NCCCCCCCCCCCC.

What is the InChIKey of N-dodecyl-2-[[2-hydroxy-3-[tetradecyl-[4-(tetradecylamino)butyl]amino]propyl]-(2-oxopentadecyl)amino]acetamide?

The InChIKey is QARUIYAGIAZNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H130N4O3/c1-5-9-13-17-21-25-29-32-35-39-43-47-53-65-54-49-51-57-67(56-50-45-41-37-33-30-26-22-18-14-10-6-2)59-63(70)60-68(58-62(69)52-46-42-38-34-31-27-23-19-15-11-7-3)61-64(71)66-55-48-44-40-36-28-24-20-16-12-8-4/h63,65,70H,5-61H2,1-4H3,(H,66,71).

What are the key properties of N-dodecyl-2-[[2-hydroxy-3-[tetradecyl-[4-(tetradecylamino)butyl]amino]propyl]-(2-oxopentadecyl)amino]acetamide?

N-dodecyl-2-[[2-hydroxy-3-[tetradecyl-[4-(tetradecylamino)butyl]amino]propyl]-(2-oxopentadecyl)amino]acetamide has a molecular weight of 1003.77 g/mol, XLogP of 18.03, 62 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-dodecyl-2-[[2-hydroxy-3-[tetradecyl-[4-(tetradecylamino)butyl]amino]propyl]-(2-oxopentadecyl)amino]acetamide is sourced from PubChem (CID 146409282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).