2,7-diethyl-1-N',8-N'-bis(2-hydroxybenzoyl)octanedihydrazide

C26H34N4O6 — CID 101305999

IUPAC2,7-diethyl-1-N',8-N'-bis(2-hydroxybenzoyl)octanedihydrazide
SMILESCCC(CCCCC(CC)C(=O)NNC(=O)c1ccccc1O)C(=O)NNC(=O)c1ccccc1O
InChIInChI=1S/C26H34N4O6/c1-3-17(23(33)27-29-25(35)19-13-7-9-15-21(19)31)11-5-6-12-18(4-2)24(34)28-30-26(36)20-14-8-10-16-22(20)32/h7-10,13-18,31-32H,3-6,11-12H2,1-2H3,(H,27,33)(H,28,34)(H,29,35)(H,30,36)
InChIKeyHAJHKWXYGFNNRH-UHFFFAOYSA-N
MW498.58 g/mol
LogP2.93
Rot. Bonds11

About 2,7-diethyl-1-N',8-N'-bis(2-hydroxybenzoyl)octanedihydrazide

2,7-diethyl-1-N',8-N'-bis(2-hydroxybenzoyl)octanedihydrazide (PubChem CID 101305999) has the molecular formula C26H34N4O6 and a molecular weight of 498.58 g/mol. Its IUPAC name is 2,7-diethyl-1-N',8-N'-bis(2-hydroxybenzoyl)octanedihydrazide.

Molecular Properties

Compound Name2,7-diethyl-1-N',8-N'-bis(2-hydroxybenzoyl)octanedihydrazide
PubChem CID101305999
Molecular FormulaC26H34N4O6
Molecular Weight498.58 g/mol
Exact Mass498.25
IUPAC Name2,7-diethyl-1-N',8-N'-bis(2-hydroxybenzoyl)octanedihydrazide
SMILESCCC(CCCCC(CC)C(=O)NNC(=O)c1ccccc1O)C(=O)NNC(=O)c1ccccc1O
InChIInChI=1S/C26H34N4O6/c1-3-17(23(33)27-29-25(35)19-13-7-9-15-21(19)31)11-5-6-12-18(4-2)24(34)28-30-26(36)20-14-8-10-16-22(20)32/h7-10,13-18,31-32H,3-6,11-12H2,1-2H3,(H,27,33)(H,28,34)(H,29,35)(H,30,36)
InChIKeyHAJHKWXYGFNNRH-UHFFFAOYSA-N
XLogP2.93
TPSA156.86 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.58
LogP ≤ 52.93
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'}

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Related Compounds

2-butyl-1-N',8-N'-bis(2-hydroxybenzoyl)octanedihydrazide
CID 86028913
2-heptyl-1-N',5-N'-bis(2-hydroxybenzoyl)pentanedihydrazide
CID 101305980
1-N',8-N'-bis(3-butyl-2-hydroxybenzoyl)-2,7-diethyloctanedihydrazide
CID 101306098
2,7-diethyl-1-N',8-N'-bis(2-hydroxy-4-octylbenzoyl)octanedihydrazide
CID 101307436
2-heptyl-1-N',4-N'-bis(2-hydroxybenzoyl)-3-methylbutanedihydrazide
CID 101305987
2-ethyl-1-N',5-N'-bis(2-hydroxy-3-octylbenzoyl)-4-pentylpentanedihydrazide
CID 101307423
2-ethyl-1-N',7-N'-bis(2-hydroxy-3-pentylbenzoyl)-6-propylheptanedihydrazide
CID 101307087
2-butyl-5-ethyl-1-N',6-N'-bis(2-hydroxy-4-pentylbenzoyl)hexanedihydrazide
CID 101307084
2-ethyl-1-N',9-N'-bis(2-hydroxy-5-octylbenzoyl)-8-methylnonanedihydrazide
CID 101307409
2-butyl-5-ethyl-1-N',6-N'-bis(5-heptyl-2-hydroxybenzoyl)hexanedihydrazide
CID 101307317
2-hydroxy-N'-propanoylbenzohydrazide
CID 15893878
1-N',3-N'-bis(2-hydroxybenzoyl)propanedihydrazide
CID 21348404

Frequently Asked Questions

What is the IUPAC name of 2,7-diethyl-1-N',8-N'-bis(2-hydroxybenzoyl)octanedihydrazide?
The IUPAC name of 2,7-diethyl-1-N',8-N'-bis(2-hydroxybenzoyl)octanedihydrazide (CID 101305999) is 2,7-diethyl-1-N',8-N'-bis(2-hydroxybenzoyl)octanedihydrazide.
What is the SMILES notation for 2,7-diethyl-1-N',8-N'-bis(2-hydroxybenzoyl)octanedihydrazide?
The canonical SMILES for 2,7-diethyl-1-N',8-N'-bis(2-hydroxybenzoyl)octanedihydrazide is CCC(CCCCC(CC)C(=O)NNC(=O)c1ccccc1O)C(=O)NNC(=O)c1ccccc1O.
What is the InChIKey of 2,7-diethyl-1-N',8-N'-bis(2-hydroxybenzoyl)octanedihydrazide?
The InChIKey is HAJHKWXYGFNNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O6/c1-3-17(23(33)27-29-25(35)19-13-7-9-15-21(19)31)11-5-6-12-18(4-2)24(34)28-30-26(36)20-14-8-10-16-22(20)32/h7-10,13-18,31-32H,3-6,11-12H2,1-2H3,(H,27,33)(H,28,34)(H,29,35)(H,30,36).
What are the key properties of 2,7-diethyl-1-N',8-N'-bis(2-hydroxybenzoyl)octanedihydrazide?
2,7-diethyl-1-N',8-N'-bis(2-hydroxybenzoyl)octanedihydrazide has a molecular weight of 498.58 g/mol, XLogP of 2.93, 11 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-hydroxybenzoyl)octanedihydrazide is sourced from PubChem (CID 101305999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).