N'-[(E)-benzylideneamino]-N-butylhexanediamide

C17H25N3O2 — CID 171980947

IUPACN'-[(E)-benzylideneamino]-N-butylhexanediamide
SMILESCCCCNC(=O)CCCCC(=O)N/N=C/c1ccccc1
InChIInChI=1S/C17H25N3O2/c1-2-3-13-18-16(21)11-7-8-12-17(22)20-19-14-15-9-5-4-6-10-15/h4-6,9-10,14H,2-3,7-8,11-13H2,1H3,(H,18,21)(H,20,22)/b19-14+
InChIKeyHRAUAEUHTABVMT-XMHGGMMESA-N
MW303.41 g/mol
LogP2.61
Rot. Bonds10

About N'-[(E)-benzylideneamino]-N-butylhexanediamide

N'-[(E)-benzylideneamino]-N-butylhexanediamide (PubChem CID 171980947) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N'-[(E)-benzylideneamino]-N-butylhexanediamide.

Molecular Properties

Compound NameN'-[(E)-benzylideneamino]-N-butylhexanediamide
PubChem CID171980947
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN'-[(E)-benzylideneamino]-N-butylhexanediamide
SMILESCCCCNC(=O)CCCCC(=O)N/N=C/c1ccccc1
InChIInChI=1S/C17H25N3O2/c1-2-3-13-18-16(21)11-7-8-12-17(22)20-19-14-15-9-5-4-6-10-15/h4-6,9-10,14H,2-3,7-8,11-13H2,1H3,(H,18,21)(H,20,22)/b19-14+
InChIKeyHRAUAEUHTABVMT-XMHGGMMESA-N
XLogP2.61
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.61
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-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585
N-[(E)-benzylideneamino]butanamide
CID 6872028
N-benzyl-N'-[(E)-benzylideneamino]hexanediamide
CID 56689025
methyl 8-[(2E)-2-benzylidenehydrazinyl]-8-oxooctanoate
CID 23864470
(4R)-N-[(Z)-benzylideneamino]-4-hydroxyundecanamide
CID 94855865
4-[(octanoylhydrazinylidene)methyl]benzoic acid
CID 171131907
N-[(E)-(4-methylphenyl)methylideneamino]octanamide
CID 6042307
N'-[(E)-benzylideneamino]-N-phenyloctanediamide
CID 23863272
N-[(4-chlorophenyl)methylideneamino]hexanamide
CID 4197078
N-[(4-hydroxyphenyl)methylideneamino]pentanamide
CID 4590132
N-[(E)-pyridin-4-ylmethylideneamino]hexadecanamide
CID 45055038

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-benzylideneamino]-N-butylhexanediamide?
The IUPAC name of N'-[(E)-benzylideneamino]-N-butylhexanediamide (CID 171980947) is N'-[(E)-benzylideneamino]-N-butylhexanediamide.
What is the SMILES notation for N'-[(E)-benzylideneamino]-N-butylhexanediamide?
The canonical SMILES for N'-[(E)-benzylideneamino]-N-butylhexanediamide is CCCCNC(=O)CCCCC(=O)N/N=C/c1ccccc1.
What is the InChIKey of N'-[(E)-benzylideneamino]-N-butylhexanediamide?
The InChIKey is HRAUAEUHTABVMT-XMHGGMMESA-N. The full InChI is InChI=1S/C17H25N3O2/c1-2-3-13-18-16(21)11-7-8-12-17(22)20-19-14-15-9-5-4-6-10-15/h4-6,9-10,14H,2-3,7-8,11-13H2,1H3,(H,18,21)(H,20,22)/b19-14+.
What are the key properties of N'-[(E)-benzylideneamino]-N-butylhexanediamide?
N'-[(E)-benzylideneamino]-N-butylhexanediamide has a molecular weight of 303.41 g/mol, XLogP of 2.61, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-benzylideneamino]-N-butylhexanediamide is sourced from PubChem (CID 171980947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).