1-N',6-N'-bis[2-(4-ethylphenoxy)acetyl]hexanedihydrazide

C26H34N4O6 — CID 3385883

IUPAC1-N',6-N'-bis[2-(4-ethylphenoxy)acetyl]hexanedihydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)CCCCC(=O)NNC(=O)COc2ccc(CC)cc2)cc1
InChIInChI=1S/C26H34N4O6/c1-3-19-9-13-21(14-10-19)35-17-25(33)29-27-23(31)7-5-6-8-24(32)28-30-26(34)18-36-22-15-11-20(4-2)12-16-22/h9-16H,3-8,17-18H2,1-2H3,(H,27,31)(H,28,32)(H,29,33)(H,30,34)
InChIKeyCODKSVVIPFQIRB-UHFFFAOYSA-N
MW498.58 g/mol
LogP2.12
Rot. Bonds13

About 1-N',6-N'-bis[2-(4-ethylphenoxy)acetyl]hexanedihydrazide

1-N',6-N'-bis[2-(4-ethylphenoxy)acetyl]hexanedihydrazide (PubChem CID 3385883) has the molecular formula C26H34N4O6 and a molecular weight of 498.58 g/mol. Its IUPAC name is 1-N',6-N'-bis[2-(4-ethylphenoxy)acetyl]hexanedihydrazide.

Molecular Properties

Compound Name1-N',6-N'-bis[2-(4-ethylphenoxy)acetyl]hexanedihydrazide
PubChem CID3385883
Molecular FormulaC26H34N4O6
Molecular Weight498.58 g/mol
Exact Mass498.25
IUPAC Name1-N',6-N'-bis[2-(4-ethylphenoxy)acetyl]hexanedihydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)CCCCC(=O)NNC(=O)COc2ccc(CC)cc2)cc1
InChIInChI=1S/C26H34N4O6/c1-3-19-9-13-21(14-10-19)35-17-25(33)29-27-23(31)7-5-6-8-24(32)28-30-26(34)18-36-22-15-11-20(4-2)12-16-22/h9-16H,3-8,17-18H2,1-2H3,(H,27,31)(H,28,32)(H,29,33)(H,30,34)
InChIKeyCODKSVVIPFQIRB-UHFFFAOYSA-N
XLogP2.12
TPSA134.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 52.12
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

3-ethoxy-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
CID 17357896
N'-[2-(4-ethylphenoxy)acetyl]-4-thiophen-2-ylbutanehydrazide
CID 9472040
1-N',9-N'-bis[2-(4-methoxyphenoxy)acetyl]nonanedihydrazide
CID 3303798
N'-[2-(4-ethylphenoxy)acetyl]-2-(4-methylphenyl)acetohydrazide
CID 9324281
1-N',6-N'-bis[2-(4-tert-butylphenoxy)acetyl]hexanedihydrazide
CID 3322788
N'-[2-(4-ethylphenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide
CID 9472118
3-cyclohexyl-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
CID 9472140
2-(4-ethylphenoxy)-N-methoxyacetamide
CID 60716979
3-(benzenesulfonyl)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
CID 9472102
2-(4-ethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 94124569
1-N',9-N'-bis[2-(4-propan-2-ylphenoxy)acetyl]nonanedihydrazide
CID 4506492
(2R)-2-(4-ethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
CID 9238118

Frequently Asked Questions

What is the IUPAC name of 1-N',6-N'-bis[2-(4-ethylphenoxy)acetyl]hexanedihydrazide?
The IUPAC name of 1-N',6-N'-bis[2-(4-ethylphenoxy)acetyl]hexanedihydrazide (CID 3385883) is 1-N',6-N'-bis[2-(4-ethylphenoxy)acetyl]hexanedihydrazide.
What is the SMILES notation for 1-N',6-N'-bis[2-(4-ethylphenoxy)acetyl]hexanedihydrazide?
The canonical SMILES for 1-N',6-N'-bis[2-(4-ethylphenoxy)acetyl]hexanedihydrazide is CCc1ccc(OCC(=O)NNC(=O)CCCCC(=O)NNC(=O)COc2ccc(CC)cc2)cc1.
What is the InChIKey of 1-N',6-N'-bis[2-(4-ethylphenoxy)acetyl]hexanedihydrazide?
The InChIKey is CODKSVVIPFQIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O6/c1-3-19-9-13-21(14-10-19)35-17-25(33)29-27-23(31)7-5-6-8-24(32)28-30-26(34)18-36-22-15-11-20(4-2)12-16-22/h9-16H,3-8,17-18H2,1-2H3,(H,27,31)(H,28,32)(H,29,33)(H,30,34).
What are the key properties of 1-N',6-N'-bis[2-(4-ethylphenoxy)acetyl]hexanedihydrazide?
1-N',6-N'-bis[2-(4-ethylphenoxy)acetyl]hexanedihydrazide has a molecular weight of 498.58 g/mol, XLogP of 2.12, 13 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-(4-ethylphenoxy)acetyl]hexanedihydrazide is sourced from PubChem (CID 3385883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).