N,N'-bis[1-(3-methylphenyl)ethylideneamino]hexanediamide

C24H30N4O2 — CID 4173231

IUPACN,N'-bis[1-(3-methylphenyl)ethylideneamino]hexanediamide
SMILESCC(=NNC(=O)CCCCC(=O)NN=C(C)c1cccc(C)c1)c1cccc(C)c1
InChIInChI=1S/C24H30N4O2/c1-17-9-7-11-21(15-17)19(3)25-27-23(29)13-5-6-14-24(30)28-26-20(4)22-12-8-10-18(2)16-22/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,27,29)(H,28,30)
InChIKeySQMDTXUYZXHOHN-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.24
Rot. Bonds9

About N,N'-bis[1-(3-methylphenyl)ethylideneamino]hexanediamide

N,N'-bis[1-(3-methylphenyl)ethylideneamino]hexanediamide (PubChem CID 4173231) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N,N'-bis[1-(3-methylphenyl)ethylideneamino]hexanediamide.

Molecular Properties

Compound NameN,N'-bis[1-(3-methylphenyl)ethylideneamino]hexanediamide
PubChem CID4173231
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN,N'-bis[1-(3-methylphenyl)ethylideneamino]hexanediamide
SMILESCC(=NNC(=O)CCCCC(=O)NN=C(C)c1cccc(C)c1)c1cccc(C)c1
InChIInChI=1S/C24H30N4O2/c1-17-9-7-11-21(15-17)19(3)25-27-23(29)13-5-6-14-24(30)28-26-20(4)22-12-8-10-18(2)16-22/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,27,29)(H,28,30)
InChIKeySQMDTXUYZXHOHN-UHFFFAOYSA-N
XLogP4.24
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.24
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,N'-bis[1-(3-hydroxyphenyl)ethylideneamino]pentanediamide
CID 4204906
N,N'-bis(1-phenylethylideneamino)octanediamide
CID 4517497
N,N'-bis[1-(3-bromophenyl)ethylideneamino]pentanediamide
CID 4580556
N-[(E)-1-(3-bromophenyl)ethylideneamino]undecanamide
CID 19685706
N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]decanamide
CID 19685450
N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenoxyacetamide
CID 19685184
N,N'-bis[(Z)-1-naphthalen-2-ylethylideneamino]nonanediamide
CID 92652613
N,N'-bis(1-naphthalen-2-ylethylideneamino)octanediamide
CID 4172674
N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]octanediamide
CID 3439287
N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]butanamide
CID 54777662
N-[1-(3,4-dimethylphenyl)ethylideneamino]undecanamide
CID 3644436
3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide
CID 19685334

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[1-(3-methylphenyl)ethylideneamino]hexanediamide?
The IUPAC name of N,N'-bis[1-(3-methylphenyl)ethylideneamino]hexanediamide (CID 4173231) is N,N'-bis[1-(3-methylphenyl)ethylideneamino]hexanediamide.
What is the SMILES notation for N,N'-bis[1-(3-methylphenyl)ethylideneamino]hexanediamide?
The canonical SMILES for N,N'-bis[1-(3-methylphenyl)ethylideneamino]hexanediamide is CC(=NNC(=O)CCCCC(=O)NN=C(C)c1cccc(C)c1)c1cccc(C)c1.
What is the InChIKey of N,N'-bis[1-(3-methylphenyl)ethylideneamino]hexanediamide?
The InChIKey is SQMDTXUYZXHOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-17-9-7-11-21(15-17)19(3)25-27-23(29)13-5-6-14-24(30)28-26-20(4)22-12-8-10-18(2)16-22/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,27,29)(H,28,30).
What are the key properties of N,N'-bis[1-(3-methylphenyl)ethylideneamino]hexanediamide?
N,N'-bis[1-(3-methylphenyl)ethylideneamino]hexanediamide has a molecular weight of 406.53 g/mol, XLogP of 4.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[1-(3-methylphenyl)ethylideneamino]hexanediamide is sourced from PubChem (CID 4173231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).