5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzene-1,3-dicarbohydrazide

C21H36N4O8 — CID 102419646

IUPAC5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzene-1,3-dicarbohydrazide
SMILESCOCCOCCOCCOCCOCCOCCc1cc(C(=O)NN)cc(C(=O)NN)c1
InChIInChI=1S/C21H36N4O8/c1-28-4-5-30-8-9-32-12-13-33-11-10-31-7-6-29-3-2-17-14-18(20(26)24-22)16-19(15-17)21(27)25-23/h14-16H,2-13,22-23H2,1H3,(H,24,26)(H,25,27)
InChIKeyGRYWIXVRCBQDNI-UHFFFAOYSA-N
MW472.54 g/mol
LogP-0.83
Rot. Bonds20

About 5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzene-1,3-dicarbohydrazide

5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzene-1,3-dicarbohydrazide (PubChem CID 102419646) has the molecular formula C21H36N4O8 and a molecular weight of 472.54 g/mol. Its IUPAC name is 5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzene-1,3-dicarbohydrazide.

Molecular Properties

Compound Name5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzene-1,3-dicarbohydrazide
PubChem CID102419646
Molecular FormulaC21H36N4O8
Molecular Weight472.54 g/mol
Exact Mass472.25
IUPAC Name5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzene-1,3-dicarbohydrazide
SMILESCOCCOCCOCCOCCOCCOCCc1cc(C(=O)NN)cc(C(=O)NN)c1
InChIInChI=1S/C21H36N4O8/c1-28-4-5-30-8-9-32-12-13-33-11-10-31-7-6-29-3-2-17-14-18(20(26)24-22)16-19(15-17)21(27)25-23/h14-16H,2-13,22-23H2,1H3,(H,24,26)(H,25,27)
InChIKeyGRYWIXVRCBQDNI-UHFFFAOYSA-N
XLogP-0.83
TPSA165.62 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 5-0.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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'}

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Related Compounds

5-(hydroxymethyl)benzene-1,3-dicarbohydrazide
CID 69302191
bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl] 5-(methylamino)benzene-1,3-dicarboxylate
CID 102205051
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-(aminomethyl)benzoate
CID 104563130
methyl 3-(hydrazinecarbonyl)benzoate;hydrochloride
CID 122507435
3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propanehydrazide
CID 118988091
2-(2-methoxyethoxy)ethylbenzene
CID 21135488
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 129256624
2-(2-methoxyethoxy)ethyl 3-phenylpropanoate
CID 70881793
methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate
CID 122582432
2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate
CID 87539702
3-chloro-4-hydroxy-5-methoxybenzohydrazide
CID 67488577
hexakis[2-[2-(2-methoxyethoxy)ethoxy]ethyl] heptacyclo[49.3.1.16,10.115,19.124,28.133,37.142,46]hexaconta-1(55),6(60),7,9,15(59),16,18,24(58),25,27,33,35,37(57),42,44,46(56),51,53-octadecaen-2,4,11,13,20,22,29,31,38,40,47,49-dodecayne-8,17,26,35,44,53-hexacarboxylate
CID 101145342

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzene-1,3-dicarbohydrazide?
The IUPAC name of 5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzene-1,3-dicarbohydrazide (CID 102419646) is 5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzene-1,3-dicarbohydrazide.
What is the SMILES notation for 5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzene-1,3-dicarbohydrazide?
The canonical SMILES for 5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzene-1,3-dicarbohydrazide is COCCOCCOCCOCCOCCOCCc1cc(C(=O)NN)cc(C(=O)NN)c1.
What is the InChIKey of 5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzene-1,3-dicarbohydrazide?
The InChIKey is GRYWIXVRCBQDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O8/c1-28-4-5-30-8-9-32-12-13-33-11-10-31-7-6-29-3-2-17-14-18(20(26)24-22)16-19(15-17)21(27)25-23/h14-16H,2-13,22-23H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzene-1,3-dicarbohydrazide?
5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzene-1,3-dicarbohydrazide has a molecular weight of 472.54 g/mol, XLogP of -0.83, 20 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzene-1,3-dicarbohydrazide is sourced from PubChem (CID 102419646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).