2-[2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]ethylamino]ethyl-[2-(dodecylamino)-2-oxoethyl]amino]-N-decylacetamide

C60H122N8O4 — CID 118180371

About 2-[2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]ethylamino]ethyl-[2-(dodecylamino)-2-oxoethyl]amino]-N-decylacetamide

2-[2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]ethylamino]ethyl-[2-(dodecylamino)-2-oxoethyl]amino]-N-decylacetamide (PubChem CID 118180371) has the molecular formula C60H122N8O4 and a molecular weight of 1019.69 g/mol. Its IUPAC name is 2-[2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]ethylamino]ethyl-[2-(dodecylamino)-2-oxoethyl]amino]-N-decylacetamide.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]ethylamino]ethyl-[2-(dodecylamino)-2-oxoethyl]amino]-N-decylacetamide
• PubChem CID: 118180371
• Molecular Formula: C60H122N8O4
• Molecular Weight: 1019.69 g/mol
• Exact Mass: 1018.96
• IUPAC Name: 2-[2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]ethylamino]ethyl-[2-(dodecylamino)-2-oxoethyl]amino]-N-decylacetamide
• SMILES: CCCCCCCCCCCCNC(=O)CN(CCNCCNCCN(CC(=O)NCCCCCCCCCCCC)CC(=O)NCCCCCCCCCCCC)CC(=O)NCCCCCCCCCC
• InChI: InChI=1S/C60H122N8O4/c1-5-9-13-17-21-25-28-32-36-40-44-64-58(70)54-67(53-57(69)63-43-39-35-31-24-20-16-12-8-4)51-49-61-47-48-62-50-52-68(55-59(71)65-45-41-37-33-29-26-22-18-14-10-6-2)56-60(72)66-46-42-38-34-30-27-23-19-15-11-7-3/h61-62H,5-56H2,1-4H3,(H,63,69)(H,64,70)(H,65,71)(H,66,72)
• InChIKey: VOLYVVDGIOKARF-UHFFFAOYSA-N
• XLogP: 12.14
• TPSA: 146.94 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 59
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1019.69
LogP ≤ 5	12.14
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]ethylamino]ethyl-[2-(dodecylamino)-2-oxoethyl]amino]-N-decylacetamide?

The IUPAC name of 2-[2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]ethylamino]ethyl-[2-(dodecylamino)-2-oxoethyl]amino]-N-decylacetamide (CID 118180371) is 2-[2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]ethylamino]ethyl-[2-(dodecylamino)-2-oxoethyl]amino]-N-decylacetamide.

What is the SMILES notation for 2-[2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]ethylamino]ethyl-[2-(dodecylamino)-2-oxoethyl]amino]-N-decylacetamide?

The canonical SMILES for 2-[2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]ethylamino]ethyl-[2-(dodecylamino)-2-oxoethyl]amino]-N-decylacetamide is CCCCCCCCCCCCNC(=O)CN(CCNCCNCCN(CC(=O)NCCCCCCCCCCCC)CC(=O)NCCCCCCCCCCCC)CC(=O)NCCCCCCCCCC.

What is the InChIKey of 2-[2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]ethylamino]ethyl-[2-(dodecylamino)-2-oxoethyl]amino]-N-decylacetamide?

The InChIKey is VOLYVVDGIOKARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H122N8O4/c1-5-9-13-17-21-25-28-32-36-40-44-64-58(70)54-67(53-57(69)63-43-39-35-31-24-20-16-12-8-4)51-49-61-47-48-62-50-52-68(55-59(71)65-45-41-37-33-29-26-22-18-14-10-6-2)56-60(72)66-46-42-38-34-30-27-23-19-15-11-7-3/h61-62H,5-56H2,1-4H3,(H,63,69)(H,64,70)(H,65,71)(H,66,72).

What are the key properties of 2-[2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]ethylamino]ethyl-[2-(dodecylamino)-2-oxoethyl]amino]-N-decylacetamide?

2-[2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]ethylamino]ethyl-[2-(dodecylamino)-2-oxoethyl]amino]-N-decylacetamide has a molecular weight of 1019.69 g/mol, XLogP of 12.14, 59 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]ethylamino]ethyl-[2-(dodecylamino)-2-oxoethyl]amino]-N-decylacetamide is sourced from PubChem (CID 118180371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).