N-[2-[2-(dodecanoylhydrazinylidene)ethoxy]ethylideneamino]dodecanamide;hydrochloride

C28H55ClN4O3 — CID 139847717

IUPACN-[2-[2-(dodecanoylhydrazinylidene)ethoxy]ethylideneamino]dodecanamide;hydrochloride
SMILESCCCCCCCCCCCC(=O)NN=CCOCC=NNC(=O)CCCCCCCCCCC.Cl
InChIInChI=1S/C28H54N4O3.ClH/c1-3-5-7-9-11-13-15-17-19-21-27(33)31-29-23-25-35-26-24-30-32-28(34)22-20-18-16-14-12-10-8-6-4-2;/h23-24H,3-22,25-26H2,1-2H3,(H,31,33)(H,32,34);1H
InChIKeyCPBXBFUKVSITNM-UHFFFAOYSA-N
MW531.23 g/mol
LogP7.47
Rot. Bonds26

About N-[2-[2-(dodecanoylhydrazinylidene)ethoxy]ethylideneamino]dodecanamide;hydrochloride

N-[2-[2-(dodecanoylhydrazinylidene)ethoxy]ethylideneamino]dodecanamide;hydrochloride (PubChem CID 139847717) has the molecular formula C28H55ClN4O3 and a molecular weight of 531.23 g/mol. Its IUPAC name is N-[2-[2-(dodecanoylhydrazinylidene)ethoxy]ethylideneamino]dodecanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[2-(dodecanoylhydrazinylidene)ethoxy]ethylideneamino]dodecanamide;hydrochloride
PubChem CID139847717
Molecular FormulaC28H55ClN4O3
Molecular Weight531.23 g/mol
Exact Mass530.40
IUPAC NameN-[2-[2-(dodecanoylhydrazinylidene)ethoxy]ethylideneamino]dodecanamide;hydrochloride
SMILESCCCCCCCCCCCC(=O)NN=CCOCC=NNC(=O)CCCCCCCCCCC.Cl
InChIInChI=1S/C28H54N4O3.ClH/c1-3-5-7-9-11-13-15-17-19-21-27(33)31-29-23-25-35-26-24-30-32-28(34)22-20-18-16-14-12-10-8-6-4-2;/h23-24H,3-22,25-26H2,1-2H3,(H,31,33)(H,32,34);1H
InChIKeyCPBXBFUKVSITNM-UHFFFAOYSA-N
XLogP7.47
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds26
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.23
LogP ≤ 57.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(butylideneamino)heptanamide
CID 4641242
N-(nonylideneamino)decanamide
CID 5084396
N-(nonylideneamino)octanamide
CID 4295690
N,N'-bis(butylideneamino)octanediamide
CID 5050764
N,N'-bis(butylideneamino)heptanediamide
CID 4260370
N,N'-bis[(E)-propylideneamino]dodecanediamide
CID 122685099
N-(but-2-enylideneamino)octanamide
CID 5180348
N-(2-phenylethylideneamino)nonanamide
CID 3280851
N-(cyclohexylmethylideneamino)dodecanamide
CID 5072532
N-[(Z)-cyclohexylmethylideneamino]octanamide
CID 6069457
N-(cyclohexylmethylideneamino)nonanamide
CID 4285441
N-(3-phenylpropylideneamino)dodecanamide
CID 3728089

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dodecanoylhydrazinylidene)ethoxy]ethylideneamino]dodecanamide;hydrochloride?
The IUPAC name of N-[2-[2-(dodecanoylhydrazinylidene)ethoxy]ethylideneamino]dodecanamide;hydrochloride (CID 139847717) is N-[2-[2-(dodecanoylhydrazinylidene)ethoxy]ethylideneamino]dodecanamide;hydrochloride.
What is the SMILES notation for N-[2-[2-(dodecanoylhydrazinylidene)ethoxy]ethylideneamino]dodecanamide;hydrochloride?
The canonical SMILES for N-[2-[2-(dodecanoylhydrazinylidene)ethoxy]ethylideneamino]dodecanamide;hydrochloride is CCCCCCCCCCCC(=O)NN=CCOCC=NNC(=O)CCCCCCCCCCC.Cl.
What is the InChIKey of N-[2-[2-(dodecanoylhydrazinylidene)ethoxy]ethylideneamino]dodecanamide;hydrochloride?
The InChIKey is CPBXBFUKVSITNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54N4O3.ClH/c1-3-5-7-9-11-13-15-17-19-21-27(33)31-29-23-25-35-26-24-30-32-28(34)22-20-18-16-14-12-10-8-6-4-2;/h23-24H,3-22,25-26H2,1-2H3,(H,31,33)(H,32,34);1H.
What are the key properties of N-[2-[2-(dodecanoylhydrazinylidene)ethoxy]ethylideneamino]dodecanamide;hydrochloride?
N-[2-[2-(dodecanoylhydrazinylidene)ethoxy]ethylideneamino]dodecanamide;hydrochloride has a molecular weight of 531.23 g/mol, XLogP of 7.47, 26 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dodecanoylhydrazinylidene)ethoxy]ethylideneamino]dodecanamide;hydrochloride is sourced from PubChem (CID 139847717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).