2,7-diethyl-1-N',8-N'-bis(2-hydroxy-4-octylbenzoyl)octanedihydrazide

C42H66N4O6 — CID 101307436

IUPAC2,7-diethyl-1-N',8-N'-bis(2-hydroxy-4-octylbenzoyl)octanedihydrazide
SMILESCCCCCCCCc1ccc(C(=O)NNC(=O)C(CC)CCCCC(CC)C(=O)NNC(=O)c2ccc(CCCCCCCC)cc2O)c(O)c1
InChIInChI=1S/C42H66N4O6/c1-5-9-11-13-15-17-21-31-25-27-35(37(47)29-31)41(51)45-43-39(49)33(7-3)23-19-20-24-34(8-4)40(50)44-46-42(52)36-28-26-32(30-38(36)48)22-18-16-14-12-10-6-2/h25-30,33-34,47-48H,5-24H2,1-4H3,(H,43,49)(H,44,50)(H,45,51)(H,46,52)
InChIKeyNOQRAOXMRGOGRE-UHFFFAOYSA-N
MW723.01 g/mol
LogP8.74
Rot. Bonds25

About 2,7-diethyl-1-N',8-N'-bis(2-hydroxy-4-octylbenzoyl)octanedihydrazide

2,7-diethyl-1-N',8-N'-bis(2-hydroxy-4-octylbenzoyl)octanedihydrazide (PubChem CID 101307436) has the molecular formula C42H66N4O6 and a molecular weight of 723.01 g/mol. Its IUPAC name is 2,7-diethyl-1-N',8-N'-bis(2-hydroxy-4-octylbenzoyl)octanedihydrazide.

Molecular Properties

Compound Name2,7-diethyl-1-N',8-N'-bis(2-hydroxy-4-octylbenzoyl)octanedihydrazide
PubChem CID101307436
Molecular FormulaC42H66N4O6
Molecular Weight723.01 g/mol
Exact Mass722.50
IUPAC Name2,7-diethyl-1-N',8-N'-bis(2-hydroxy-4-octylbenzoyl)octanedihydrazide
SMILESCCCCCCCCc1ccc(C(=O)NNC(=O)C(CC)CCCCC(CC)C(=O)NNC(=O)c2ccc(CCCCCCCC)cc2O)c(O)c1
InChIInChI=1S/C42H66N4O6/c1-5-9-11-13-15-17-21-31-25-27-35(37(47)29-31)41(51)45-43-39(49)33(7-3)23-19-20-24-34(8-4)40(50)44-46-42(52)36-28-26-32(30-38(36)48)22-18-16-14-12-10-6-2/h25-30,33-34,47-48H,5-24H2,1-4H3,(H,43,49)(H,44,50)(H,45,51)(H,46,52)
InChIKeyNOQRAOXMRGOGRE-UHFFFAOYSA-N
XLogP8.74
TPSA156.86 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500723.01
LogP ≤ 58.74
H-Bond Donors ≤ 56
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'}

Analyze 2,7-diethyl-1-N',8-N'-bis(2-hydroxy-4-octylbenzoyl)octanedihydrazide with MolForge

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Related Compounds

2-butyl-5-ethyl-1-N',6-N'-bis(2-hydroxy-4-pentylbenzoyl)hexanedihydrazide
CID 101307084
1-N',8-N'-bis(2-hydroxy-4-pentylbenzoyl)-2-methyl-7-propyloctanedihydrazide
CID 101307060
2-butyl-5-ethyl-1-N',6-N'-bis(5-heptyl-2-hydroxybenzoyl)hexanedihydrazide
CID 101307317
2-ethyl-1-N',9-N'-bis(2-hydroxy-5-octylbenzoyl)-8-methylnonanedihydrazide
CID 101307409
2-butyl-1-N',5-N'-bis(2-hydroxy-5-octylbenzoyl)-4-propylpentanedihydrazide
CID 101307449
1-N',7-N'-bis(5-heptyl-2-hydroxybenzoyl)-2-pentylheptanedihydrazide
CID 101307249
1-N',6-N'-bis(5-hexyl-2-hydroxybenzoyl)-2-methyl-5-pentylhexanedihydrazide
CID 101307169
1-N',3-N'-bis(2-hydroxy-5-pentylbenzoyl)-2-nonylpropanedihydrazide
CID 101307001
2,7-diethyl-1-N',8-N'-bis(2-hydroxybenzoyl)octanedihydrazide
CID 101305999
2-butyl-1-N',3-N'-bis(2-hydroxy-4-pentylbenzoyl)-2-pentylpropanedihydrazide
CID 101307112
2-ethyl-1-N',5-N'-bis(2-hydroxy-3-octylbenzoyl)-4-pentylpentanedihydrazide
CID 101307423
1-N',8-N'-bis(3-butyl-2-hydroxybenzoyl)-2,7-diethyloctanedihydrazide
CID 101306098

Frequently Asked Questions

What is the IUPAC name of 2,7-diethyl-1-N',8-N'-bis(2-hydroxy-4-octylbenzoyl)octanedihydrazide?
The IUPAC name of 2,7-diethyl-1-N',8-N'-bis(2-hydroxy-4-octylbenzoyl)octanedihydrazide (CID 101307436) is 2,7-diethyl-1-N',8-N'-bis(2-hydroxy-4-octylbenzoyl)octanedihydrazide.
What is the SMILES notation for 2,7-diethyl-1-N',8-N'-bis(2-hydroxy-4-octylbenzoyl)octanedihydrazide?
The canonical SMILES for 2,7-diethyl-1-N',8-N'-bis(2-hydroxy-4-octylbenzoyl)octanedihydrazide is CCCCCCCCc1ccc(C(=O)NNC(=O)C(CC)CCCCC(CC)C(=O)NNC(=O)c2ccc(CCCCCCCC)cc2O)c(O)c1.
What is the InChIKey of 2,7-diethyl-1-N',8-N'-bis(2-hydroxy-4-octylbenzoyl)octanedihydrazide?
The InChIKey is NOQRAOXMRGOGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H66N4O6/c1-5-9-11-13-15-17-21-31-25-27-35(37(47)29-31)41(51)45-43-39(49)33(7-3)23-19-20-24-34(8-4)40(50)44-46-42(52)36-28-26-32(30-38(36)48)22-18-16-14-12-10-6-2/h25-30,33-34,47-48H,5-24H2,1-4H3,(H,43,49)(H,44,50)(H,45,51)(H,46,52).
What are the key properties of 2,7-diethyl-1-N',8-N'-bis(2-hydroxy-4-octylbenzoyl)octanedihydrazide?
2,7-diethyl-1-N',8-N'-bis(2-hydroxy-4-octylbenzoyl)octanedihydrazide has a molecular weight of 723.01 g/mol, XLogP of 8.74, 25 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diethyl-1-N',8-N'-bis(2-hydroxy-4-octylbenzoyl)octanedihydrazide is sourced from PubChem (CID 101307436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).