3,4,5-tridodecoxy-N-[3-[3-[(3,4,5-tridodecoxybenzoyl)amino]propylamino]propyl]benzamide

C92H169N3O8 — CID 102473799

About 3,4,5-tridodecoxy-N-[3-[3-[(3,4,5-tridodecoxybenzoyl)amino]propylamino]propyl]benzamide

3,4,5-tridodecoxy-N-[3-[3-[(3,4,5-tridodecoxybenzoyl)amino]propylamino]propyl]benzamide (PubChem CID 102473799) has the molecular formula C92H169N3O8 and a molecular weight of 1445.38 g/mol. Its IUPAC name is 3,4,5-tridodecoxy-N-[3-[3-[(3,4,5-tridodecoxybenzoyl)amino]propylamino]propyl]benzamide.

Molecular Properties

• Compound Name: 3,4,5-tridodecoxy-N-[3-[3-[(3,4,5-tridodecoxybenzoyl)amino]propylamino]propyl]benzamide
• PubChem CID: 102473799
• Molecular Formula: C92H169N3O8
• Molecular Weight: 1445.38 g/mol
• Exact Mass: 1444.29
• IUPAC Name: 3,4,5-tridodecoxy-N-[3-[3-[(3,4,5-tridodecoxybenzoyl)amino]propylamino]propyl]benzamide
• SMILES: CCCCCCCCCCCCOc1cc(C(=O)NCCCNCCCNC(=O)c2cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c2)cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC
• InChI: InChI=1S/C92H169N3O8/c1-7-13-19-25-31-37-43-49-55-61-73-98-85-79-83(80-86(99-74-62-56-50-44-38-32-26-20-14-8-2)89(85)102-77-65-59-53-47-41-35-29-23-17-11-5)91(96)94-71-67-69-93-70-68-72-95-92(97)84-81-87(100-75-63-57-51-45-39-33-27-21-15-9-3)90(103-78-66-60-54-48-42-36-30-24-18-12-6)88(82-84)101-76-64-58-52-46-40-34-28-22-16-10-4/h79-82,93H,7-78H2,1-6H3,(H,94,96)(H,95,97)
• InChIKey: RJGBLEYHMSIFHX-UHFFFAOYSA-N
• XLogP: 28.01
• TPSA: 125.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 82
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1445.38
LogP ≤ 5	28.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,4,5-tridodecoxy-N-[3-[3-[(3,4,5-tridodecoxybenzoyl)amino]propylamino]propyl]benzamide?

The IUPAC name of 3,4,5-tridodecoxy-N-[3-[3-[(3,4,5-tridodecoxybenzoyl)amino]propylamino]propyl]benzamide (CID 102473799) is 3,4,5-tridodecoxy-N-[3-[3-[(3,4,5-tridodecoxybenzoyl)amino]propylamino]propyl]benzamide.

What is the SMILES notation for 3,4,5-tridodecoxy-N-[3-[3-[(3,4,5-tridodecoxybenzoyl)amino]propylamino]propyl]benzamide?

The canonical SMILES for 3,4,5-tridodecoxy-N-[3-[3-[(3,4,5-tridodecoxybenzoyl)amino]propylamino]propyl]benzamide is CCCCCCCCCCCCOc1cc(C(=O)NCCCNCCCNC(=O)c2cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c2)cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC.

What is the InChIKey of 3,4,5-tridodecoxy-N-[3-[3-[(3,4,5-tridodecoxybenzoyl)amino]propylamino]propyl]benzamide?

The InChIKey is RJGBLEYHMSIFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H169N3O8/c1-7-13-19-25-31-37-43-49-55-61-73-98-85-79-83(80-86(99-74-62-56-50-44-38-32-26-20-14-8-2)89(85)102-77-65-59-53-47-41-35-29-23-17-11-5)91(96)94-71-67-69-93-70-68-72-95-92(97)84-81-87(100-75-63-57-51-45-39-33-27-21-15-9-3)90(103-78-66-60-54-48-42-36-30-24-18-12-6)88(82-84)101-76-64-58-52-46-40-34-28-22-16-10-4/h79-82,93H,7-78H2,1-6H3,(H,94,96)(H,95,97).

What are the key properties of 3,4,5-tridodecoxy-N-[3-[3-[(3,4,5-tridodecoxybenzoyl)amino]propylamino]propyl]benzamide?

3,4,5-tridodecoxy-N-[3-[3-[(3,4,5-tridodecoxybenzoyl)amino]propylamino]propyl]benzamide has a molecular weight of 1445.38 g/mol, XLogP of 28.01, 82 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4,5-tridodecoxy-N-[3-[3-[(3,4,5-tridodecoxybenzoyl)amino]propylamino]propyl]benzamide is sourced from PubChem (CID 102473799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).