1-N',6-N'-bis(2-naphthalen-2-yloxyacetyl)hexanedihydrazide

C30H30N4O6 — CID 4660299

IUPAC1-N',6-N'-bis(2-naphthalen-2-yloxyacetyl)hexanedihydrazide
SMILESO=C(CCCCC(=O)NNC(=O)COc1ccc2ccccc2c1)NNC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C30H30N4O6/c35-27(31-33-29(37)19-39-25-15-13-21-7-1-3-9-23(21)17-25)11-5-6-12-28(36)32-34-30(38)20-40-26-16-14-22-8-2-4-10-24(22)18-26/h1-4,7-10,13-18H,5-6,11-12,19-20H2,(H,31,35)(H,32,36)(H,33,37)(H,34,38)
InChIKeyCXBNDFGMIJMPLS-UHFFFAOYSA-N
MW542.59 g/mol
LogP3.31
Rot. Bonds11

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

1-N',6-N'-bis(2-naphthalen-2-yloxyacetyl)hexanedihydrazide (PubChem CID 4660299) has the molecular formula C30H30N4O6 and a molecular weight of 542.59 g/mol. Its IUPAC name is 1-N',6-N'-bis(2-naphthalen-2-yloxyacetyl)hexanedihydrazide.

Molecular Properties

Compound Name1-N',6-N'-bis(2-naphthalen-2-yloxyacetyl)hexanedihydrazide
PubChem CID4660299
Molecular FormulaC30H30N4O6
Molecular Weight542.59 g/mol
Exact Mass542.22
IUPAC Name1-N',6-N'-bis(2-naphthalen-2-yloxyacetyl)hexanedihydrazide
SMILESO=C(CCCCC(=O)NNC(=O)COc1ccc2ccccc2c1)NNC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C30H30N4O6/c35-27(31-33-29(37)19-39-25-15-13-21-7-1-3-9-23(21)17-25)11-5-6-12-28(36)32-34-30(38)20-40-26-16-14-22-8-2-4-10-24(22)18-26/h1-4,7-10,13-18H,5-6,11-12,19-20H2,(H,31,35)(H,32,36)(H,33,37)(H,34,38)
InChIKeyCXBNDFGMIJMPLS-UHFFFAOYSA-N
XLogP3.31
TPSA134.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.59
LogP ≤ 53.31
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

2-(1-Naphthyloxy)acetohydrazide
CID 729938
2-(2-Naphthyloxy)acetohydrazide
CID 720883
2-Methoxy-benzoic acid N'-[2-(naphthalen-2-yloxy)-acetyl]-hydrazide
CID 1103475
4-[(Naphthalen-2-yloxy)methyl]benzohydrazide
CID 840751
Naphthalen-1-yl-acetic acid N'-[2-(naphthalen-2-yloxy)-acetyl]-hydrazide
CID 1103489
N'-[2-(1-naphthalenyloxy)-1-oxoethyl]-2-oxolanecarbohydrazide
CID 2870823
3-Phenyl-propionic acid N'-[2-(4-tert-butyl-phenoxy)-acetyl]-hydrazide
CID 3127650
N'-(2-phenoxyacetyl)-3-phenylpropanehydrazide
CID 3139321
2-(3-methylphenoxy)-N'-(6-{2-[(3-methylphenoxy)acetyl]hydrazino}-6-oxohexanoyl)acetohydrazide
CID 4367965
2-({2-[(1-Naphthyloxy)acetyl]hydrazino}carbonyl)cyclohexanecarboxylic acid
CID 11839053
N'-[2-(4-butan-2-ylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 2965045
N'-[2-(Naphthalen-2-yloxy)acetyl]benzohydrazide
CID 2676961

Frequently Asked Questions

What is the IUPAC name of 1-N',6-N'-bis(2-naphthalen-2-yloxyacetyl)hexanedihydrazide?
The IUPAC name of 1-N',6-N'-bis(2-naphthalen-2-yloxyacetyl)hexanedihydrazide (CID 4660299) is 1-N',6-N'-bis(2-naphthalen-2-yloxyacetyl)hexanedihydrazide.
What is the SMILES notation for 1-N',6-N'-bis(2-naphthalen-2-yloxyacetyl)hexanedihydrazide?
The canonical SMILES for 1-N',6-N'-bis(2-naphthalen-2-yloxyacetyl)hexanedihydrazide is O=C(CCCCC(=O)NNC(=O)COc1ccc2ccccc2c1)NNC(=O)COc1ccc2ccccc2c1.
What is the InChIKey of 1-N',6-N'-bis(2-naphthalen-2-yloxyacetyl)hexanedihydrazide?
The InChIKey is CXBNDFGMIJMPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O6/c35-27(31-33-29(37)19-39-25-15-13-21-7-1-3-9-23(21)17-25)11-5-6-12-28(36)32-34-30(38)20-40-26-16-14-22-8-2-4-10-24(22)18-26/h1-4,7-10,13-18H,5-6,11-12,19-20H2,(H,31,35)(H,32,36)(H,33,37)(H,34,38).
What are the key properties of 1-N',6-N'-bis(2-naphthalen-2-yloxyacetyl)hexanedihydrazide?
1-N',6-N'-bis(2-naphthalen-2-yloxyacetyl)hexanedihydrazide has a molecular weight of 542.59 g/mol, XLogP of 3.31, 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-naphthalen-2-yloxyacetyl)hexanedihydrazide is sourced from PubChem (CID 4660299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).