1-N',6-N'-bis[2-(4-tert-butylphenoxy)acetyl]hexanedihydrazide

C30H42N4O6 — CID 3322788

IUPAC1-N',6-N'-bis[2-(4-tert-butylphenoxy)acetyl]hexanedihydrazide
SMILESCC(C)(C)c1ccc(OCC(=O)NNC(=O)CCCCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C30H42N4O6/c1-29(2,3)21-11-15-23(16-12-21)39-19-27(37)33-31-25(35)9-7-8-10-26(36)32-34-28(38)20-40-24-17-13-22(14-18-24)30(4,5)6/h11-18H,7-10,19-20H2,1-6H3,(H,31,35)(H,32,36)(H,33,37)(H,34,38)
InChIKeyMTWAHZRFANCIFI-UHFFFAOYSA-N
MW554.69 g/mol
LogP3.59
Rot. Bonds11

About 1-N',6-N'-bis[2-(4-tert-butylphenoxy)acetyl]hexanedihydrazide

1-N',6-N'-bis[2-(4-tert-butylphenoxy)acetyl]hexanedihydrazide (PubChem CID 3322788) has the molecular formula C30H42N4O6 and a molecular weight of 554.69 g/mol. Its IUPAC name is 1-N',6-N'-bis[2-(4-tert-butylphenoxy)acetyl]hexanedihydrazide.

Molecular Properties

Compound Name1-N',6-N'-bis[2-(4-tert-butylphenoxy)acetyl]hexanedihydrazide
PubChem CID3322788
Molecular FormulaC30H42N4O6
Molecular Weight554.69 g/mol
Exact Mass554.31
IUPAC Name1-N',6-N'-bis[2-(4-tert-butylphenoxy)acetyl]hexanedihydrazide
SMILESCC(C)(C)c1ccc(OCC(=O)NNC(=O)CCCCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C30H42N4O6/c1-29(2,3)21-11-15-23(16-12-21)39-19-27(37)33-31-25(35)9-7-8-10-26(36)32-34-28(38)20-40-24-17-13-22(14-18-24)30(4,5)6/h11-18H,7-10,19-20H2,1-6H3,(H,31,35)(H,32,36)(H,33,37)(H,34,38)
InChIKeyMTWAHZRFANCIFI-UHFFFAOYSA-N
XLogP3.59
TPSA134.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.69
LogP ≤ 53.59
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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Related Compounds

N'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]hexanehydrazide
CID 17093425
4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide
CID 3311747
2-(4-tert-butylphenoxy)-N'-methylacetohydrazide
CID 116820676
1-N',9-N'-bis[2-(4-methoxyphenoxy)acetyl]nonanedihydrazide
CID 3303798
1-N',6-N'-bis[2-(4-ethylphenoxy)acetyl]hexanedihydrazide
CID 3385883
N-benzyl-4-[2-[2-(4-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide
CID 3975878
N'-[2-(4-tert-butylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide
CID 4945083
1-N',9-N'-bis[2-(4-propan-2-ylphenoxy)acetyl]nonanedihydrazide
CID 4506492
1-N',6-N'-bis(4-tert-butylbenzoyl)hexanedihydrazide
CID 4209045
2-(4-tert-butylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4984397
4-[2-[2-(4-tert-butylphenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 3286978
2-(4-tert-butylphenoxy)-N'-[2-(2,4-dimethylphenoxy)acetyl]acetohydrazide
CID 4945068

Frequently Asked Questions

What is the IUPAC name of 1-N',6-N'-bis[2-(4-tert-butylphenoxy)acetyl]hexanedihydrazide?
The IUPAC name of 1-N',6-N'-bis[2-(4-tert-butylphenoxy)acetyl]hexanedihydrazide (CID 3322788) is 1-N',6-N'-bis[2-(4-tert-butylphenoxy)acetyl]hexanedihydrazide.
What is the SMILES notation for 1-N',6-N'-bis[2-(4-tert-butylphenoxy)acetyl]hexanedihydrazide?
The canonical SMILES for 1-N',6-N'-bis[2-(4-tert-butylphenoxy)acetyl]hexanedihydrazide is CC(C)(C)c1ccc(OCC(=O)NNC(=O)CCCCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 1-N',6-N'-bis[2-(4-tert-butylphenoxy)acetyl]hexanedihydrazide?
The InChIKey is MTWAHZRFANCIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N4O6/c1-29(2,3)21-11-15-23(16-12-21)39-19-27(37)33-31-25(35)9-7-8-10-26(36)32-34-28(38)20-40-24-17-13-22(14-18-24)30(4,5)6/h11-18H,7-10,19-20H2,1-6H3,(H,31,35)(H,32,36)(H,33,37)(H,34,38).
What are the key properties of 1-N',6-N'-bis[2-(4-tert-butylphenoxy)acetyl]hexanedihydrazide?
1-N',6-N'-bis[2-(4-tert-butylphenoxy)acetyl]hexanedihydrazide has a molecular weight of 554.69 g/mol, XLogP of 3.59, 11 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[2-(4-tert-butylphenoxy)acetyl]hexanedihydrazide is sourced from PubChem (CID 3322788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).