N,N'-bis[1-(4-ethylphenyl)ethylideneamino]hexanediamide

C26H34N4O2 — CID 3720428

IUPACN,N'-bis[1-(4-ethylphenyl)ethylideneamino]hexanediamide
SMILESCCc1ccc(C(C)=NNC(=O)CCCCC(=O)NN=C(C)c2ccc(CC)cc2)cc1
InChIInChI=1S/C26H34N4O2/c1-5-21-11-15-23(16-12-21)19(3)27-29-25(31)9-7-8-10-26(32)30-28-20(4)24-17-13-22(6-2)14-18-24/h11-18H,5-10H2,1-4H3,(H,29,31)(H,30,32)
InChIKeyHWRGWPVMWCSOJK-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.75
Rot. Bonds11

About N,N'-bis[1-(4-ethylphenyl)ethylideneamino]hexanediamide

N,N'-bis[1-(4-ethylphenyl)ethylideneamino]hexanediamide (PubChem CID 3720428) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is N,N'-bis[1-(4-ethylphenyl)ethylideneamino]hexanediamide.

Molecular Properties

Compound NameN,N'-bis[1-(4-ethylphenyl)ethylideneamino]hexanediamide
PubChem CID3720428
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC NameN,N'-bis[1-(4-ethylphenyl)ethylideneamino]hexanediamide
SMILESCCc1ccc(C(C)=NNC(=O)CCCCC(=O)NN=C(C)c2ccc(CC)cc2)cc1
InChIInChI=1S/C26H34N4O2/c1-5-21-11-15-23(16-12-21)19(3)27-29-25(31)9-7-8-10-26(32)30-28-20(4)24-17-13-22(6-2)14-18-24/h11-18H,5-10H2,1-4H3,(H,29,31)(H,30,32)
InChIKeyHWRGWPVMWCSOJK-UHFFFAOYSA-N
XLogP4.75
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[1-(4-ethylphenyl)ethylideneamino]heptanamide
CID 3659452
N-[1-(4-ethylphenyl)ethylideneamino]nonanamide
CID 4685925
N,N'-bis[(Z)-1-(4-hydroxyphenyl)ethylideneamino]nonanediamide
CID 136878224
N-[(Z)-1-(4-ethylphenyl)ethylideneamino]-2-phenylacetamide
CID 6343025
N,N'-bis[1-(4-bromophenyl)ethylideneamino]heptanediamide
CID 4582452
N,N'-bis[1-(4-fluorophenyl)ethylideneamino]octanediamide
CID 4172268
N,N'-bis[1-(4-propylphenyl)ethylideneamino]butanediamide
CID 4173019
N,N'-bis[1-(4-aminophenyl)ethylideneamino]octanediamide
CID 4586480
N,N'-bis(1-phenylethylideneamino)octanediamide
CID 4517497
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]pentanamide
CID 135799262
N-[1-(4-phenylphenyl)ethylideneamino]hexanamide
CID 3111304
N-[(E)-1-(4-aminophenyl)ethylideneamino]decanamide
CID 6177715

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[1-(4-ethylphenyl)ethylideneamino]hexanediamide?
The IUPAC name of N,N'-bis[1-(4-ethylphenyl)ethylideneamino]hexanediamide (CID 3720428) is N,N'-bis[1-(4-ethylphenyl)ethylideneamino]hexanediamide.
What is the SMILES notation for N,N'-bis[1-(4-ethylphenyl)ethylideneamino]hexanediamide?
The canonical SMILES for N,N'-bis[1-(4-ethylphenyl)ethylideneamino]hexanediamide is CCc1ccc(C(C)=NNC(=O)CCCCC(=O)NN=C(C)c2ccc(CC)cc2)cc1.
What is the InChIKey of N,N'-bis[1-(4-ethylphenyl)ethylideneamino]hexanediamide?
The InChIKey is HWRGWPVMWCSOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-5-21-11-15-23(16-12-21)19(3)27-29-25(31)9-7-8-10-26(32)30-28-20(4)24-17-13-22(6-2)14-18-24/h11-18H,5-10H2,1-4H3,(H,29,31)(H,30,32).
What are the key properties of N,N'-bis[1-(4-ethylphenyl)ethylideneamino]hexanediamide?
N,N'-bis[1-(4-ethylphenyl)ethylideneamino]hexanediamide has a molecular weight of 434.58 g/mol, XLogP of 4.75, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[1-(4-ethylphenyl)ethylideneamino]hexanediamide is sourced from PubChem (CID 3720428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).