1-N',6-N'-bis(2-methylbenzoyl)hexanedihydrazide

C22H26N4O4 — CID 4233637

IUPAC1-N',6-N'-bis(2-methylbenzoyl)hexanedihydrazide
SMILESCc1ccccc1C(=O)NNC(=O)CCCCC(=O)NNC(=O)c1ccccc1C
InChIInChI=1S/C22H26N4O4/c1-15-9-3-5-11-17(15)21(29)25-23-19(27)13-7-8-14-20(28)24-26-22(30)18-12-6-4-10-16(18)2/h3-6,9-12H,7-8,13-14H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)(H,26,30)
InChIKeyASBGFZKGQKVQBM-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.09
Rot. Bonds7

About 1-N',6-N'-bis(2-methylbenzoyl)hexanedihydrazide

1-N',6-N'-bis(2-methylbenzoyl)hexanedihydrazide (PubChem CID 4233637) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 1-N',6-N'-bis(2-methylbenzoyl)hexanedihydrazide.

Molecular Properties

Compound Name1-N',6-N'-bis(2-methylbenzoyl)hexanedihydrazide
PubChem CID4233637
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name1-N',6-N'-bis(2-methylbenzoyl)hexanedihydrazide
SMILESCc1ccccc1C(=O)NNC(=O)CCCCC(=O)NNC(=O)c1ccccc1C
InChIInChI=1S/C22H26N4O4/c1-15-9-3-5-11-17(15)21(29)25-23-19(27)13-7-8-14-20(28)24-26-22(30)18-12-6-4-10-16(18)2/h3-6,9-12H,7-8,13-14H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)(H,26,30)
InChIKeyASBGFZKGQKVQBM-UHFFFAOYSA-N
XLogP2.09
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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(2-methylbenzoyl)hexanedihydrazide?
The IUPAC name of 1-N',6-N'-bis(2-methylbenzoyl)hexanedihydrazide (CID 4233637) is 1-N',6-N'-bis(2-methylbenzoyl)hexanedihydrazide.
What is the SMILES notation for 1-N',6-N'-bis(2-methylbenzoyl)hexanedihydrazide?
The canonical SMILES for 1-N',6-N'-bis(2-methylbenzoyl)hexanedihydrazide is Cc1ccccc1C(=O)NNC(=O)CCCCC(=O)NNC(=O)c1ccccc1C.
What is the InChIKey of 1-N',6-N'-bis(2-methylbenzoyl)hexanedihydrazide?
The InChIKey is ASBGFZKGQKVQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-15-9-3-5-11-17(15)21(29)25-23-19(27)13-7-8-14-20(28)24-26-22(30)18-12-6-4-10-16(18)2/h3-6,9-12H,7-8,13-14H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)(H,26,30).
What are the key properties of 1-N',6-N'-bis(2-methylbenzoyl)hexanedihydrazide?
1-N',6-N'-bis(2-methylbenzoyl)hexanedihydrazide has a molecular weight of 410.47 g/mol, XLogP of 2.09, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',6-N'-bis(2-methylbenzoyl)hexanedihydrazide is sourced from PubChem (CID 4233637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).