2-[2-[4-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4-oxobutanoyl]oxyethoxy]ethyl 4-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4-oxobutanoate

C24H42N8O11 — CID 176738787

IUPAC2-[2-[4-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4-oxobutanoyl]oxyethoxy]ethyl 4-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4-oxobutanoate
SMILESNNC(=O)CCCCC(=O)NNC(=O)CCC(=O)OCCOCCOC(=O)CCC(=O)NNC(=O)CCCCC(=O)NN
InChIInChI=1S/C24H42N8O11/c25-27-17(33)5-1-3-7-19(35)29-31-21(37)9-11-23(39)42-15-13-41-14-16-43-24(40)12-10-22(38)32-30-20(36)8-4-2-6-18(34)28-26/h1-16,25-26H2,(H,27,33)(H,28,34)(H,29,35)(H,30,36)(H,31,37)(H,32,38)
InChIKeyJYQYQNHWWSKGLE-UHFFFAOYSA-N
MW618.65 g/mol
LogP-2.95
Rot. Bonds22

About 2-[2-[4-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4-oxobutanoyl]oxyethoxy]ethyl 4-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4-oxobutanoate

2-[2-[4-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4-oxobutanoyl]oxyethoxy]ethyl 4-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4-oxobutanoate (PubChem CID 176738787) has the molecular formula C24H42N8O11 and a molecular weight of 618.65 g/mol. Its IUPAC name is 2-[2-[4-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4-oxobutanoyl]oxyethoxy]ethyl 4-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4-oxobutanoate.

Molecular Properties

Compound Name2-[2-[4-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4-oxobutanoyl]oxyethoxy]ethyl 4-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4-oxobutanoate
PubChem CID176738787
Molecular FormulaC24H42N8O11
Molecular Weight618.65 g/mol
Exact Mass618.30
IUPAC Name2-[2-[4-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4-oxobutanoyl]oxyethoxy]ethyl 4-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4-oxobutanoate
SMILESNNC(=O)CCCCC(=O)NNC(=O)CCC(=O)OCCOCCOC(=O)CCC(=O)NNC(=O)CCCCC(=O)NN
InChIInChI=1S/C24H42N8O11/c25-27-17(33)5-1-3-7-19(35)29-31-21(37)9-11-23(39)42-15-13-41-14-16-43-24(40)12-10-22(38)32-30-20(36)8-4-2-6-18(34)28-26/h1-16,25-26H2,(H,27,33)(H,28,34)(H,29,35)(H,30,36)(H,31,37)(H,32,38)
InChIKeyJYQYQNHWWSKGLE-UHFFFAOYSA-N
XLogP-2.95
TPSA288.47 Ų
H-Bond Donors8
H-Bond Acceptors13
Rotatable Bonds22
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500618.65
LogP ≤ 5-2.95
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-[4-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4-oxobutanoyl]oxyethoxy]ethyl 4-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4-oxobutanoate with MolForge

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Related Compounds

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CID 102469729
3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propanehydrazide
CID 118988091
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanehydrazide
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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4-oxobutanoyl]oxyethoxy]ethyl 4-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4-oxobutanoate?
The IUPAC name of 2-[2-[4-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4-oxobutanoyl]oxyethoxy]ethyl 4-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4-oxobutanoate (CID 176738787) is 2-[2-[4-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4-oxobutanoyl]oxyethoxy]ethyl 4-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4-oxobutanoate.
What is the SMILES notation for 2-[2-[4-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4-oxobutanoyl]oxyethoxy]ethyl 4-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4-oxobutanoate?
The canonical SMILES for 2-[2-[4-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4-oxobutanoyl]oxyethoxy]ethyl 4-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4-oxobutanoate is NNC(=O)CCCCC(=O)NNC(=O)CCC(=O)OCCOCCOC(=O)CCC(=O)NNC(=O)CCCCC(=O)NN.
What is the InChIKey of 2-[2-[4-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4-oxobutanoyl]oxyethoxy]ethyl 4-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4-oxobutanoate?
The InChIKey is JYQYQNHWWSKGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N8O11/c25-27-17(33)5-1-3-7-19(35)29-31-21(37)9-11-23(39)42-15-13-41-14-16-43-24(40)12-10-22(38)32-30-20(36)8-4-2-6-18(34)28-26/h1-16,25-26H2,(H,27,33)(H,28,34)(H,29,35)(H,30,36)(H,31,37)(H,32,38).
What are the key properties of 2-[2-[4-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4-oxobutanoyl]oxyethoxy]ethyl 4-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4-oxobutanoate?
2-[2-[4-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4-oxobutanoyl]oxyethoxy]ethyl 4-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4-oxobutanoate has a molecular weight of 618.65 g/mol, XLogP of -2.95, 22 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4-oxobutanoyl]oxyethoxy]ethyl 4-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4-oxobutanoate is sourced from PubChem (CID 176738787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).