1-N',6-N'-bis(2-phenoxyacetyl)hexanedihydrazide

C22H26N4O6 — CID 3113773

IUPAC1-N',6-N'-bis(2-phenoxyacetyl)hexanedihydrazide
SMILESO=C(CCCCC(=O)NNC(=O)COc1ccccc1)NNC(=O)COc1ccccc1
InChIInChI=1S/C22H26N4O6/c27-19(23-25-21(29)15-31-17-9-3-1-4-10-17)13-7-8-14-20(28)24-26-22(30)16-32-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H,23,27)(H,24,28)(H,25,29)(H,26,30)
InChIKeyJRJOEGZZOWPWDI-UHFFFAOYSA-N
MW442.47 g/mol
LogP1.00
Rot. Bonds11

About 1-N',6-N'-bis(2-phenoxyacetyl)hexanedihydrazide

1-N',6-N'-bis(2-phenoxyacetyl)hexanedihydrazide (PubChem CID 3113773) has the molecular formula C22H26N4O6 and a molecular weight of 442.47 g/mol. Its IUPAC name is 1-N',6-N'-bis(2-phenoxyacetyl)hexanedihydrazide.

Molecular Properties

Compound Name1-N',6-N'-bis(2-phenoxyacetyl)hexanedihydrazide
PubChem CID3113773
Molecular FormulaC22H26N4O6
Molecular Weight442.47 g/mol
Exact Mass442.19
IUPAC Name1-N',6-N'-bis(2-phenoxyacetyl)hexanedihydrazide
SMILESO=C(CCCCC(=O)NNC(=O)COc1ccccc1)NNC(=O)COc1ccccc1
InChIInChI=1S/C22H26N4O6/c27-19(23-25-21(29)15-31-17-9-3-1-4-10-17)13-7-8-14-20(28)24-26-22(30)16-32-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H,23,27)(H,24,28)(H,25,29)(H,26,30)
InChIKeyJRJOEGZZOWPWDI-UHFFFAOYSA-N
XLogP1.00
TPSA134.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-Fluorophenoxyacetic acid hydrazide
CID 735834
2-Phenoxyacetohydrazide
CID 101390
2-(2-Fluorophenoxy)propanoic acid hydrazide
CID 3865677
2-(4-Methoxyphenoxy)acetohydrazide
CID 691094
2-(2-Fluorophenoxy)acetohydrazide
CID 1540410
N'-[2-(4-methoxyphenoxy)acetyl]-3-phenylpropanehydrazide
CID 3127332
3-Phenyl-propionic acid N'-[2-(4-tert-butyl-phenoxy)-acetyl]-hydrazide
CID 3127650
N'-(2-phenoxyacetyl)-3-phenylpropanehydrazide
CID 3139321
N'-[(2-methylphenoxy)acetyl]-3-phenylpropanehydrazide
CID 3139322
N'~1~,N'~5~-bis[(2-methoxyphenoxy)acetyl]pentanedihydrazide
CID 3148946
2-(3-methylphenoxy)-N'-(6-{2-[(3-methylphenoxy)acetyl]hydrazino}-6-oxohexanoyl)acetohydrazide
CID 4367965
N'-[2-(2-fluorophenoxy)propanoyl]-3-phenylbutanehydrazide
CID 24979804

Frequently Asked Questions

What is the IUPAC name of 1-N',6-N'-bis(2-phenoxyacetyl)hexanedihydrazide?
The IUPAC name of 1-N',6-N'-bis(2-phenoxyacetyl)hexanedihydrazide (CID 3113773) is 1-N',6-N'-bis(2-phenoxyacetyl)hexanedihydrazide.
What is the SMILES notation for 1-N',6-N'-bis(2-phenoxyacetyl)hexanedihydrazide?
The canonical SMILES for 1-N',6-N'-bis(2-phenoxyacetyl)hexanedihydrazide is O=C(CCCCC(=O)NNC(=O)COc1ccccc1)NNC(=O)COc1ccccc1.
What is the InChIKey of 1-N',6-N'-bis(2-phenoxyacetyl)hexanedihydrazide?
The InChIKey is JRJOEGZZOWPWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O6/c27-19(23-25-21(29)15-31-17-9-3-1-4-10-17)13-7-8-14-20(28)24-26-22(30)16-32-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H,23,27)(H,24,28)(H,25,29)(H,26,30).
What are the key properties of 1-N',6-N'-bis(2-phenoxyacetyl)hexanedihydrazide?
1-N',6-N'-bis(2-phenoxyacetyl)hexanedihydrazide has a molecular weight of 442.47 g/mol, XLogP of 1.00, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',6-N'-bis(2-phenoxyacetyl)hexanedihydrazide is sourced from PubChem (CID 3113773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).