1-N',6-N'-bis(4-tert-butylbenzoyl)hexanedihydrazide

C28H38N4O4 — CID 4209045

IUPAC1-N',6-N'-bis(4-tert-butylbenzoyl)hexanedihydrazide
SMILESCC(C)(C)c1ccc(C(=O)NNC(=O)CCCCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C28H38N4O4/c1-27(2,3)21-15-11-19(12-16-21)25(35)31-29-23(33)9-7-8-10-24(34)30-32-26(36)20-13-17-22(18-14-20)28(4,5)6/h11-18H,7-10H2,1-6H3,(H,29,33)(H,30,34)(H,31,35)(H,32,36)
InChIKeyQPNDLVNEOQZWCU-UHFFFAOYSA-N
MW494.64 g/mol
LogP4.06
Rot. Bonds7

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

1-N',6-N'-bis(4-tert-butylbenzoyl)hexanedihydrazide (PubChem CID 4209045) has the molecular formula C28H38N4O4 and a molecular weight of 494.64 g/mol. Its IUPAC name is 1-N',6-N'-bis(4-tert-butylbenzoyl)hexanedihydrazide.

Molecular Properties

Compound Name1-N',6-N'-bis(4-tert-butylbenzoyl)hexanedihydrazide
PubChem CID4209045
Molecular FormulaC28H38N4O4
Molecular Weight494.64 g/mol
Exact Mass494.29
IUPAC Name1-N',6-N'-bis(4-tert-butylbenzoyl)hexanedihydrazide
SMILESCC(C)(C)c1ccc(C(=O)NNC(=O)CCCCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C28H38N4O4/c1-27(2,3)21-15-11-19(12-16-21)25(35)31-29-23(33)9-7-8-10-24(34)30-32-26(36)20-13-17-22(18-14-20)28(4,5)6/h11-18H,7-10H2,1-6H3,(H,29,33)(H,30,34)(H,31,35)(H,32,36)
InChIKeyQPNDLVNEOQZWCU-UHFFFAOYSA-N
XLogP4.06
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 54.06
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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Related Compounds

4-tert-butyl-N-[4-[(octanoylamino)carbamoyl]phenyl]benzamide
CID 4958813
1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide
CID 3123941
1-N',6-N'-bis[2-(4-tert-butylphenoxy)acetyl]hexanedihydrazide
CID 3322788
4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide
CID 3311747
4-methyl-N'-octanoylbenzohydrazide
CID 4958769
1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide
CID 3361883
N-[4-[[[6-oxo-6-[2-[4-(pentanoylamino)benzoyl]hydrazinyl]hexanoyl]amino]carbamoyl]phenyl]pentanamide
CID 4926555
4-bromo-N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide
CID 18272580
N'-octanoylbenzohydrazide
CID 4227469
N'-heptanoylbenzohydrazide
CID 4218130
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]pentanediamide
CID 17235324
N'-nonanoylbenzohydrazide
CID 5163159

Frequently Asked Questions

What is the IUPAC name of 1-N',6-N'-bis(4-tert-butylbenzoyl)hexanedihydrazide?
The IUPAC name of 1-N',6-N'-bis(4-tert-butylbenzoyl)hexanedihydrazide (CID 4209045) is 1-N',6-N'-bis(4-tert-butylbenzoyl)hexanedihydrazide.
What is the SMILES notation for 1-N',6-N'-bis(4-tert-butylbenzoyl)hexanedihydrazide?
The canonical SMILES for 1-N',6-N'-bis(4-tert-butylbenzoyl)hexanedihydrazide is CC(C)(C)c1ccc(C(=O)NNC(=O)CCCCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 1-N',6-N'-bis(4-tert-butylbenzoyl)hexanedihydrazide?
The InChIKey is QPNDLVNEOQZWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O4/c1-27(2,3)21-15-11-19(12-16-21)25(35)31-29-23(33)9-7-8-10-24(34)30-32-26(36)20-13-17-22(18-14-20)28(4,5)6/h11-18H,7-10H2,1-6H3,(H,29,33)(H,30,34)(H,31,35)(H,32,36).
What are the key properties of 1-N',6-N'-bis(4-tert-butylbenzoyl)hexanedihydrazide?
1-N',6-N'-bis(4-tert-butylbenzoyl)hexanedihydrazide has a molecular weight of 494.64 g/mol, XLogP of 4.06, 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(4-tert-butylbenzoyl)hexanedihydrazide is sourced from PubChem (CID 4209045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).