N-benzyl-N'-[(E)-benzylideneamino]hexanediamide

C20H23N3O2 — CID 56689025

IUPACN-benzyl-N'-[(E)-benzylideneamino]hexanediamide
SMILESO=C(CCCCC(=O)N/N=C/c1ccccc1)NCc1ccccc1
InChIInChI=1S/C20H23N3O2/c24-19(21-15-17-9-3-1-4-10-17)13-7-8-14-20(25)23-22-16-18-11-5-2-6-12-18/h1-6,9-12,16H,7-8,13-15H2,(H,21,24)(H,23,25)/b22-16+
InChIKeySQHQHUMTLCJCIY-CJLVFECKSA-N
MW337.42 g/mol
LogP3.01
Rot. Bonds9

About N-benzyl-N'-[(E)-benzylideneamino]hexanediamide

N-benzyl-N'-[(E)-benzylideneamino]hexanediamide (PubChem CID 56689025) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-benzyl-N'-[(E)-benzylideneamino]hexanediamide.

Molecular Properties

Compound NameN-benzyl-N'-[(E)-benzylideneamino]hexanediamide
PubChem CID56689025
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-benzyl-N'-[(E)-benzylideneamino]hexanediamide
SMILESO=C(CCCCC(=O)N/N=C/c1ccccc1)NCc1ccccc1
InChIInChI=1S/C20H23N3O2/c24-19(21-15-17-9-3-1-4-10-17)13-7-8-14-20(25)23-22-16-18-11-5-2-6-12-18/h1-6,9-12,16H,7-8,13-15H2,(H,21,24)(H,23,25)/b22-16+
InChIKeySQHQHUMTLCJCIY-CJLVFECKSA-N
XLogP3.01
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-benzyl-N'-[(3-methylphenyl)methylideneamino]butanediamide
CID 3285949
N'-[(E)-benzylideneamino]-N-butylhexanediamide
CID 171980947
N-[(E)-benzylideneamino]butanamide
CID 6872028
N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585
N-benzyl-N'-[(3,4,5-trimethoxyphenyl)methylideneamino]butanediamide
CID 3813231
N'-[(E)-benzylideneamino]-N-phenyloctanediamide
CID 23863272
6-(benzylamino)-6-oxohexanoic acid
CID 43529432
methyl 8-[(2E)-2-benzylidenehydrazinyl]-8-oxooctanoate
CID 23864470
N-benzyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanediamide
CID 94847602
N'-[(E)-benzylideneamino]-N-(2-hydroxyphenyl)heptanediamide
CID 23642529
N-benzyl-N'-(2-methylpropylideneamino)butanediamide
CID 4924753

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-[(E)-benzylideneamino]hexanediamide?
The IUPAC name of N-benzyl-N'-[(E)-benzylideneamino]hexanediamide (CID 56689025) is N-benzyl-N'-[(E)-benzylideneamino]hexanediamide.
What is the SMILES notation for N-benzyl-N'-[(E)-benzylideneamino]hexanediamide?
The canonical SMILES for N-benzyl-N'-[(E)-benzylideneamino]hexanediamide is O=C(CCCCC(=O)N/N=C/c1ccccc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-N'-[(E)-benzylideneamino]hexanediamide?
The InChIKey is SQHQHUMTLCJCIY-CJLVFECKSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-19(21-15-17-9-3-1-4-10-17)13-7-8-14-20(25)23-22-16-18-11-5-2-6-12-18/h1-6,9-12,16H,7-8,13-15H2,(H,21,24)(H,23,25)/b22-16+.
What are the key properties of N-benzyl-N'-[(E)-benzylideneamino]hexanediamide?
N-benzyl-N'-[(E)-benzylideneamino]hexanediamide has a molecular weight of 337.42 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-[(E)-benzylideneamino]hexanediamide is sourced from PubChem (CID 56689025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).