azanide;2-[3-[2-[2-[3-[2-(2-azidoethoxy)ethoxy]propanoyl-[2-[2-[3-(2-chloroethylamino)-3-oxopropoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]propanoylamino]ethylazanium;chloride

C25H51Cl2N8O9- — CID 163438316

About azanide;2-[3-[2-[2-[3-[2-(2-azidoethoxy)ethoxy]propanoyl-[2-[2-[3-(2-chloroethylamino)-3-oxopropoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]propanoylamino]ethylazanium;chloride

azanide;2-[3-[2-[2-[3-[2-(2-azidoethoxy)ethoxy]propanoyl-[2-[2-[3-(2-chloroethylamino)-3-oxopropoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]propanoylamino]ethylazanium;chloride (PubChem CID 163438316) has the molecular formula C25H51Cl2N8O9- and a molecular weight of 678.64 g/mol. Its IUPAC name is azanide;2-[3-[2-[2-[3-[2-(2-azidoethoxy)ethoxy]propanoyl-[2-[2-[3-(2-chloroethylamino)-3-oxopropoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]propanoylamino]ethylazanium;chloride.

Molecular Properties

• Compound Name: azanide;2-[3-[2-[2-[3-[2-(2-azidoethoxy)ethoxy]propanoyl-[2-[2-[3-(2-chloroethylamino)-3-oxopropoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]propanoylamino]ethylazanium;chloride
• PubChem CID: 163438316
• Molecular Formula: C25H51Cl2N8O9-
• Molecular Weight: 678.64 g/mol
• Exact Mass: 677.32
• IUPAC Name: azanide;2-[3-[2-[2-[3-[2-(2-azidoethoxy)ethoxy]propanoyl-[2-[2-[3-(2-chloroethylamino)-3-oxopropoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]propanoylamino]ethylazanium;chloride
• SMILES: [Cl-].[N-]=[N+]=NCCOCCOCCC(=O)N(CCOCCOCCC(=O)NCC[NH3+])CCOCCOCCC(=O)NCCCl.[NH2-]
• InChI: InChI=1S/C25H48ClN7O9.ClH.H2N/c26-4-6-29-23(34)1-11-37-18-21-41-15-9-33(25(36)3-13-39-17-20-40-14-8-31-32-28)10-16-42-22-19-38-12-2-24(35)30-7-5-27;;/h1-22,27H2,(H,29,34)(H,30,35);1H;1H2/q;;-1
• InChIKey: KONJAYGYUWHIKH-UHFFFAOYSA-N
• XLogP: -3.17
• TPSA: 243.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 31
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	678.64
LogP ≤ 5	-3.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of azanide;2-[3-[2-[2-[3-[2-(2-azidoethoxy)ethoxy]propanoyl-[2-[2-[3-(2-chloroethylamino)-3-oxopropoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]propanoylamino]ethylazanium;chloride?

The IUPAC name of azanide;2-[3-[2-[2-[3-[2-(2-azidoethoxy)ethoxy]propanoyl-[2-[2-[3-(2-chloroethylamino)-3-oxopropoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]propanoylamino]ethylazanium;chloride (CID 163438316) is azanide;2-[3-[2-[2-[3-[2-(2-azidoethoxy)ethoxy]propanoyl-[2-[2-[3-(2-chloroethylamino)-3-oxopropoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]propanoylamino]ethylazanium;chloride.

What is the SMILES notation for azanide;2-[3-[2-[2-[3-[2-(2-azidoethoxy)ethoxy]propanoyl-[2-[2-[3-(2-chloroethylamino)-3-oxopropoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]propanoylamino]ethylazanium;chloride?

The canonical SMILES for azanide;2-[3-[2-[2-[3-[2-(2-azidoethoxy)ethoxy]propanoyl-[2-[2-[3-(2-chloroethylamino)-3-oxopropoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]propanoylamino]ethylazanium;chloride is [Cl-].[N-]=[N+]=NCCOCCOCCC(=O)N(CCOCCOCCC(=O)NCC[NH3+])CCOCCOCCC(=O)NCCCl.[NH2-].

What is the InChIKey of azanide;2-[3-[2-[2-[3-[2-(2-azidoethoxy)ethoxy]propanoyl-[2-[2-[3-(2-chloroethylamino)-3-oxopropoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]propanoylamino]ethylazanium;chloride?

The InChIKey is KONJAYGYUWHIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48ClN7O9.ClH.H2N/c26-4-6-29-23(34)1-11-37-18-21-41-15-9-33(25(36)3-13-39-17-20-40-14-8-31-32-28)10-16-42-22-19-38-12-2-24(35)30-7-5-27;;/h1-22,27H2,(H,29,34)(H,30,35);1H;1H2/q;;-1.

What are the key properties of azanide;2-[3-[2-[2-[3-[2-(2-azidoethoxy)ethoxy]propanoyl-[2-[2-[3-(2-chloroethylamino)-3-oxopropoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]propanoylamino]ethylazanium;chloride?

azanide;2-[3-[2-[2-[3-[2-(2-azidoethoxy)ethoxy]propanoyl-[2-[2-[3-(2-chloroethylamino)-3-oxopropoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]propanoylamino]ethylazanium;chloride has a molecular weight of 678.64 g/mol, XLogP of -3.17, 31 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for azanide;2-[3-[2-[2-[3-[2-(2-azidoethoxy)ethoxy]propanoyl-[2-[2-[3-(2-chloroethylamino)-3-oxopropoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]propanoylamino]ethylazanium;chloride is sourced from PubChem (CID 163438316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).