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

C26H34N4O6 — CID 86028913

IUPAC2-butyl-1-N',8-N'-bis(2-hydroxybenzoyl)octanedihydrazide
SMILESCCCCC(CCCCCC(=O)NNC(=O)c1ccccc1O)C(=O)NNC(=O)c1ccccc1O
InChIInChI=1S/C26H34N4O6/c1-2-3-11-18(24(34)28-30-26(36)20-14-8-10-16-22(20)32)12-5-4-6-17-23(33)27-29-25(35)19-13-7-9-15-21(19)31/h7-10,13-16,18,31-32H,2-6,11-12,17H2,1H3,(H,27,33)(H,28,34)(H,29,35)(H,30,36)
InChIKeyGMXGFDAYRJFYNU-UHFFFAOYSA-N
MW498.58 g/mol
LogP3.08
Rot. Bonds12

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

2-butyl-1-N',8-N'-bis(2-hydroxybenzoyl)octanedihydrazide (PubChem CID 86028913) has the molecular formula C26H34N4O6 and a molecular weight of 498.58 g/mol. Its IUPAC name is 2-butyl-1-N',8-N'-bis(2-hydroxybenzoyl)octanedihydrazide.

Molecular Properties

Compound Name2-butyl-1-N',8-N'-bis(2-hydroxybenzoyl)octanedihydrazide
PubChem CID86028913
Molecular FormulaC26H34N4O6
Molecular Weight498.58 g/mol
Exact Mass498.25
IUPAC Name2-butyl-1-N',8-N'-bis(2-hydroxybenzoyl)octanedihydrazide
SMILESCCCCC(CCCCCC(=O)NNC(=O)c1ccccc1O)C(=O)NNC(=O)c1ccccc1O
InChIInChI=1S/C26H34N4O6/c1-2-3-11-18(24(34)28-30-26(36)20-14-8-10-16-22(20)32)12-5-4-6-17-23(33)27-29-25(35)19-13-7-9-15-21(19)31/h7-10,13-16,18,31-32H,2-6,11-12,17H2,1H3,(H,27,33)(H,28,34)(H,29,35)(H,30,36)
InChIKeyGMXGFDAYRJFYNU-UHFFFAOYSA-N
XLogP3.08
TPSA156.86 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.58
LogP ≤ 53.08
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-heptyl-1-N',5-N'-bis(2-hydroxybenzoyl)pentanedihydrazide
CID 101305980
1-N',7-N'-bis(3-heptyl-2-hydroxybenzoyl)-2-pentylheptanedihydrazide
CID 101307247
1-N',7-N'-bis(5-heptyl-2-hydroxybenzoyl)-2-pentylheptanedihydrazide
CID 101307249
1-N',9-N'-bis(3-hexyl-2-hydroxybenzoyl)-2-propylnonanedihydrazide
CID 101307139
2,7-diethyl-1-N',8-N'-bis(2-hydroxybenzoyl)octanedihydrazide
CID 101305999
1-N',7-N'-bis(2-hexyl-6-hydroxybenzoyl)-2-pentylheptanedihydrazide
CID 101307134
2-heptyl-1-N',4-N'-bis(2-hydroxybenzoyl)-3-methylbutanedihydrazide
CID 101305987
2-heptyl-1-N',5-N'-bis(2-hexyl-6-hydroxybenzoyl)pentanedihydrazide
CID 101307126
N'-dodecanoyl-2,4-dihydroxybenzohydrazide
CID 18983784
N'-octanoylbenzohydrazide
CID 4227469
N'-nonanoylbenzohydrazide
CID 5163159
N'-heptanoylbenzohydrazide
CID 4218130

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-N',8-N'-bis(2-hydroxybenzoyl)octanedihydrazide?
The IUPAC name of 2-butyl-1-N',8-N'-bis(2-hydroxybenzoyl)octanedihydrazide (CID 86028913) is 2-butyl-1-N',8-N'-bis(2-hydroxybenzoyl)octanedihydrazide.
What is the SMILES notation for 2-butyl-1-N',8-N'-bis(2-hydroxybenzoyl)octanedihydrazide?
The canonical SMILES for 2-butyl-1-N',8-N'-bis(2-hydroxybenzoyl)octanedihydrazide is CCCCC(CCCCCC(=O)NNC(=O)c1ccccc1O)C(=O)NNC(=O)c1ccccc1O.
What is the InChIKey of 2-butyl-1-N',8-N'-bis(2-hydroxybenzoyl)octanedihydrazide?
The InChIKey is GMXGFDAYRJFYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O6/c1-2-3-11-18(24(34)28-30-26(36)20-14-8-10-16-22(20)32)12-5-4-6-17-23(33)27-29-25(35)19-13-7-9-15-21(19)31/h7-10,13-16,18,31-32H,2-6,11-12,17H2,1H3,(H,27,33)(H,28,34)(H,29,35)(H,30,36).
What are the key properties of 2-butyl-1-N',8-N'-bis(2-hydroxybenzoyl)octanedihydrazide?
2-butyl-1-N',8-N'-bis(2-hydroxybenzoyl)octanedihydrazide has a molecular weight of 498.58 g/mol, XLogP of 3.08, 12 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-N',8-N'-bis(2-hydroxybenzoyl)octanedihydrazide is sourced from PubChem (CID 86028913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).