6-[3-[2-[3-[bis[2-(2-aminoethoxy)ethyl]amino]-3-oxopropoxy]ethoxy]propanoylamino]-2-(methylamino)hexanamide

C23H48N6O7 — CID 178093292

About 6-[3-[2-[3-[bis[2-(2-aminoethoxy)ethyl]amino]-3-oxopropoxy]ethoxy]propanoylamino]-2-(methylamino)hexanamide

6-[3-[2-[3-[bis[2-(2-aminoethoxy)ethyl]amino]-3-oxopropoxy]ethoxy]propanoylamino]-2-(methylamino)hexanamide (PubChem CID 178093292) has the molecular formula C23H48N6O7 and a molecular weight of 520.67 g/mol. Its IUPAC name is 6-[3-[2-[3-[bis[2-(2-aminoethoxy)ethyl]amino]-3-oxopropoxy]ethoxy]propanoylamino]-2-(methylamino)hexanamide.

Molecular Properties

• Compound Name: 6-[3-[2-[3-[bis[2-(2-aminoethoxy)ethyl]amino]-3-oxopropoxy]ethoxy]propanoylamino]-2-(methylamino)hexanamide
• PubChem CID: 178093292
• Molecular Formula: C23H48N6O7
• Molecular Weight: 520.67 g/mol
• Exact Mass: 520.36
• IUPAC Name: 6-[3-[2-[3-[bis[2-(2-aminoethoxy)ethyl]amino]-3-oxopropoxy]ethoxy]propanoylamino]-2-(methylamino)hexanamide
• SMILES: CNC(CCCCNC(=O)CCOCCOCCC(=O)N(CCOCCN)CCOCCN)C(N)=O
• InChI: InChI=1S/C23H48N6O7/c1-27-20(23(26)32)4-2-3-9-28-21(30)5-12-33-18-19-34-13-6-22(31)29(10-16-35-14-7-24)11-17-36-15-8-25/h20,27H,2-19,24-25H2,1H3,(H2,26,32)(H,28,30)
• InChIKey: ACSIADOLRXNWNL-UHFFFAOYSA-N
• XLogP: -2.06
• TPSA: 193.49 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 26
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.67
LogP ≤ 5	-2.06
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-[3-[bis[2-(2-aminoethoxy)ethyl]amino]-3-oxopropoxy]ethoxy]propanoylamino]-2-(methylamino)hexanamide?

The IUPAC name of 6-[3-[2-[3-[bis[2-(2-aminoethoxy)ethyl]amino]-3-oxopropoxy]ethoxy]propanoylamino]-2-(methylamino)hexanamide (CID 178093292) is 6-[3-[2-[3-[bis[2-(2-aminoethoxy)ethyl]amino]-3-oxopropoxy]ethoxy]propanoylamino]-2-(methylamino)hexanamide.

What is the SMILES notation for 6-[3-[2-[3-[bis[2-(2-aminoethoxy)ethyl]amino]-3-oxopropoxy]ethoxy]propanoylamino]-2-(methylamino)hexanamide?

The canonical SMILES for 6-[3-[2-[3-[bis[2-(2-aminoethoxy)ethyl]amino]-3-oxopropoxy]ethoxy]propanoylamino]-2-(methylamino)hexanamide is CNC(CCCCNC(=O)CCOCCOCCC(=O)N(CCOCCN)CCOCCN)C(N)=O.

What is the InChIKey of 6-[3-[2-[3-[bis[2-(2-aminoethoxy)ethyl]amino]-3-oxopropoxy]ethoxy]propanoylamino]-2-(methylamino)hexanamide?

The InChIKey is ACSIADOLRXNWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N6O7/c1-27-20(23(26)32)4-2-3-9-28-21(30)5-12-33-18-19-34-13-6-22(31)29(10-16-35-14-7-24)11-17-36-15-8-25/h20,27H,2-19,24-25H2,1H3,(H2,26,32)(H,28,30).

What are the key properties of 6-[3-[2-[3-[bis[2-(2-aminoethoxy)ethyl]amino]-3-oxopropoxy]ethoxy]propanoylamino]-2-(methylamino)hexanamide?

6-[3-[2-[3-[bis[2-(2-aminoethoxy)ethyl]amino]-3-oxopropoxy]ethoxy]propanoylamino]-2-(methylamino)hexanamide has a molecular weight of 520.67 g/mol, XLogP of -2.06, 26 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[2-[3-[bis[2-(2-aminoethoxy)ethyl]amino]-3-oxopropoxy]ethoxy]propanoylamino]-2-(methylamino)hexanamide is sourced from PubChem (CID 178093292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).