1-N',8-N'-bis(2-butyl-6-hydroxybenzoyl)-2-methyl-7-propyloctanedihydrazide

C34H50N4O6 — CID 101306069

IUPAC1-N',8-N'-bis(2-butyl-6-hydroxybenzoyl)-2-methyl-7-propyloctanedihydrazide
SMILESCCCCc1cccc(O)c1C(=O)NNC(=O)C(C)CCCCC(CCC)C(=O)NNC(=O)c1c(O)cccc1CCCC
InChIInChI=1S/C34H50N4O6/c1-5-8-16-24-19-12-21-27(39)29(24)33(43)37-35-31(41)23(4)15-10-11-18-26(14-7-3)32(42)36-38-34(44)30-25(17-9-6-2)20-13-22-28(30)40/h12-13,19-23,26,39-40H,5-11,14-18H2,1-4H3,(H,35,41)(H,36,42)(H,37,43)(H,38,44)
InChIKeyZDKAXRGQAJZQDQ-UHFFFAOYSA-N
MW610.80 g/mol
LogP5.62
Rot. Bonds17

About 1-N',8-N'-bis(2-butyl-6-hydroxybenzoyl)-2-methyl-7-propyloctanedihydrazide

1-N',8-N'-bis(2-butyl-6-hydroxybenzoyl)-2-methyl-7-propyloctanedihydrazide (PubChem CID 101306069) has the molecular formula C34H50N4O6 and a molecular weight of 610.80 g/mol. Its IUPAC name is 1-N',8-N'-bis(2-butyl-6-hydroxybenzoyl)-2-methyl-7-propyloctanedihydrazide.

Molecular Properties

Compound Name1-N',8-N'-bis(2-butyl-6-hydroxybenzoyl)-2-methyl-7-propyloctanedihydrazide
PubChem CID101306069
Molecular FormulaC34H50N4O6
Molecular Weight610.80 g/mol
Exact Mass610.37
IUPAC Name1-N',8-N'-bis(2-butyl-6-hydroxybenzoyl)-2-methyl-7-propyloctanedihydrazide
SMILESCCCCc1cccc(O)c1C(=O)NNC(=O)C(C)CCCCC(CCC)C(=O)NNC(=O)c1c(O)cccc1CCCC
InChIInChI=1S/C34H50N4O6/c1-5-8-16-24-19-12-21-27(39)29(24)33(43)37-35-31(41)23(4)15-10-11-18-26(14-7-3)32(42)36-38-34(44)30-25(17-9-6-2)20-13-22-28(30)40/h12-13,19-23,26,39-40H,5-11,14-18H2,1-4H3,(H,35,41)(H,36,42)(H,37,43)(H,38,44)
InChIKeyZDKAXRGQAJZQDQ-UHFFFAOYSA-N
XLogP5.62
TPSA156.86 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500610.80
LogP ≤ 55.62
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',7-N'-bis(2-heptyl-6-hydroxybenzoyl)-6-methylheptanedihydrazide
CID 101307290
2-heptyl-1-N',5-N'-bis(2-hexyl-6-hydroxybenzoyl)pentanedihydrazide
CID 101307126
1-N',7-N'-bis(2-hexyl-6-hydroxybenzoyl)-2-pentylheptanedihydrazide
CID 101307134
1-N',8-N'-bis(2-hydroxy-4-pentylbenzoyl)-2-methyl-7-propyloctanedihydrazide
CID 101307060
2-butyl-1-N',5-N'-bis(3-butyl-2-hydroxybenzoyl)-4-propylpentanedihydrazide
CID 101306110
1-N',8-N'-bis(3-butyl-2-hydroxybenzoyl)-2,7-diethyloctanedihydrazide
CID 101306098
2-ethyl-1-N',7-N'-bis(2-hydroxy-3-pentylbenzoyl)-6-propylheptanedihydrazide
CID 101307087
1-N',9-N'-bis(3-hexyl-2-hydroxybenzoyl)-2-propylnonanedihydrazide
CID 101307139
1-N',6-N'-bis(5-hexyl-2-hydroxybenzoyl)-2-methyl-5-pentylhexanedihydrazide
CID 101307169
2-ethyl-1-N',9-N'-bis(2-hydroxy-5-octylbenzoyl)-8-methylnonanedihydrazide
CID 101307409
1-N',7-N'-bis(3-heptyl-2-hydroxybenzoyl)-2-pentylheptanedihydrazide
CID 101307247
2-ethyl-1-N',5-N'-bis(2-hydroxy-3-octylbenzoyl)-4-pentylpentanedihydrazide
CID 101307423

Frequently Asked Questions

What is the IUPAC name of 1-N',8-N'-bis(2-butyl-6-hydroxybenzoyl)-2-methyl-7-propyloctanedihydrazide?
The IUPAC name of 1-N',8-N'-bis(2-butyl-6-hydroxybenzoyl)-2-methyl-7-propyloctanedihydrazide (CID 101306069) is 1-N',8-N'-bis(2-butyl-6-hydroxybenzoyl)-2-methyl-7-propyloctanedihydrazide.
What is the SMILES notation for 1-N',8-N'-bis(2-butyl-6-hydroxybenzoyl)-2-methyl-7-propyloctanedihydrazide?
The canonical SMILES for 1-N',8-N'-bis(2-butyl-6-hydroxybenzoyl)-2-methyl-7-propyloctanedihydrazide is CCCCc1cccc(O)c1C(=O)NNC(=O)C(C)CCCCC(CCC)C(=O)NNC(=O)c1c(O)cccc1CCCC.
What is the InChIKey of 1-N',8-N'-bis(2-butyl-6-hydroxybenzoyl)-2-methyl-7-propyloctanedihydrazide?
The InChIKey is ZDKAXRGQAJZQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H50N4O6/c1-5-8-16-24-19-12-21-27(39)29(24)33(43)37-35-31(41)23(4)15-10-11-18-26(14-7-3)32(42)36-38-34(44)30-25(17-9-6-2)20-13-22-28(30)40/h12-13,19-23,26,39-40H,5-11,14-18H2,1-4H3,(H,35,41)(H,36,42)(H,37,43)(H,38,44).
What are the key properties of 1-N',8-N'-bis(2-butyl-6-hydroxybenzoyl)-2-methyl-7-propyloctanedihydrazide?
1-N',8-N'-bis(2-butyl-6-hydroxybenzoyl)-2-methyl-7-propyloctanedihydrazide has a molecular weight of 610.80 g/mol, XLogP of 5.62, 17 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',8-N'-bis(2-butyl-6-hydroxybenzoyl)-2-methyl-7-propyloctanedihydrazide is sourced from PubChem (CID 101306069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).