1-N',6-N'-bis(4-methoxybenzoyl)hexanedihydrazide

C22H26N4O6 — CID 3115394

IUPAC1-N',6-N'-bis(4-methoxybenzoyl)hexanedihydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CCCCC(=O)NNC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H26N4O6/c1-31-17-11-7-15(8-12-17)21(29)25-23-19(27)5-3-4-6-20(28)24-26-22(30)16-9-13-18(32-2)14-10-16/h7-14H,3-6H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)(H,26,30)
InChIKeyZMIIQXLXWATXIB-UHFFFAOYSA-N
MW442.47 g/mol
LogP1.49
Rot. Bonds9

About 1-N',6-N'-bis(4-methoxybenzoyl)hexanedihydrazide

1-N',6-N'-bis(4-methoxybenzoyl)hexanedihydrazide (PubChem CID 3115394) has the molecular formula C22H26N4O6 and a molecular weight of 442.47 g/mol. Its IUPAC name is 1-N',6-N'-bis(4-methoxybenzoyl)hexanedihydrazide.

Molecular Properties

Compound Name1-N',6-N'-bis(4-methoxybenzoyl)hexanedihydrazide
PubChem CID3115394
Molecular FormulaC22H26N4O6
Molecular Weight442.47 g/mol
Exact Mass442.19
IUPAC Name1-N',6-N'-bis(4-methoxybenzoyl)hexanedihydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CCCCC(=O)NNC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H26N4O6/c1-31-17-11-7-15(8-12-17)21(29)25-23-19(27)5-3-4-6-20(28)24-26-22(30)16-9-13-18(32-2)14-10-16/h7-14H,3-6H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)(H,26,30)
InChIKeyZMIIQXLXWATXIB-UHFFFAOYSA-N
XLogP1.49
TPSA134.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 51.49
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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Frequently Asked Questions

What is the IUPAC name of 1-N',6-N'-bis(4-methoxybenzoyl)hexanedihydrazide?
The IUPAC name of 1-N',6-N'-bis(4-methoxybenzoyl)hexanedihydrazide (CID 3115394) is 1-N',6-N'-bis(4-methoxybenzoyl)hexanedihydrazide.
What is the SMILES notation for 1-N',6-N'-bis(4-methoxybenzoyl)hexanedihydrazide?
The canonical SMILES for 1-N',6-N'-bis(4-methoxybenzoyl)hexanedihydrazide is COc1ccc(C(=O)NNC(=O)CCCCC(=O)NNC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-N',6-N'-bis(4-methoxybenzoyl)hexanedihydrazide?
The InChIKey is ZMIIQXLXWATXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O6/c1-31-17-11-7-15(8-12-17)21(29)25-23-19(27)5-3-4-6-20(28)24-26-22(30)16-9-13-18(32-2)14-10-16/h7-14H,3-6H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)(H,26,30).
What are the key properties of 1-N',6-N'-bis(4-methoxybenzoyl)hexanedihydrazide?
1-N',6-N'-bis(4-methoxybenzoyl)hexanedihydrazide has a molecular weight of 442.47 g/mol, XLogP of 1.49, 9 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(4-methoxybenzoyl)hexanedihydrazide is sourced from PubChem (CID 3115394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).