N'-[(Z)-(3-bromophenyl)methylideneamino]-N-methylhexanediamide

C14H18BrN3O2 — CID 6056765

IUPACN'-[(Z)-(3-bromophenyl)methylideneamino]-N-methylhexanediamide
SMILESCNC(=O)CCCCC(=O)N/N=C\c1cccc(Br)c1
InChIInChI=1S/C14H18BrN3O2/c1-16-13(19)7-2-3-8-14(20)18-17-10-11-5-4-6-12(15)9-11/h4-6,9-10H,2-3,7-8H2,1H3,(H,16,19)(H,18,20)/b17-10-
InChIKeyNNVMUIBLPIGYIC-YVLHZVERSA-N
MW340.22 g/mol
LogP2.21
Rot. Bonds7

About N'-[(Z)-(3-bromophenyl)methylideneamino]-N-methylhexanediamide

N'-[(Z)-(3-bromophenyl)methylideneamino]-N-methylhexanediamide (PubChem CID 6056765) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is N'-[(Z)-(3-bromophenyl)methylideneamino]-N-methylhexanediamide.

Molecular Properties

Compound NameN'-[(Z)-(3-bromophenyl)methylideneamino]-N-methylhexanediamide
PubChem CID6056765
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC NameN'-[(Z)-(3-bromophenyl)methylideneamino]-N-methylhexanediamide
SMILESCNC(=O)CCCCC(=O)N/N=C\c1cccc(Br)c1
InChIInChI=1S/C14H18BrN3O2/c1-16-13(19)7-2-3-8-14(20)18-17-10-11-5-4-6-12(15)9-11/h4-6,9-10H,2-3,7-8H2,1H3,(H,16,19)(H,18,20)/b17-10-
InChIKeyNNVMUIBLPIGYIC-YVLHZVERSA-N
XLogP2.21
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 52.21
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,N'-bis[(3-bromophenyl)methylideneamino]butanediamide
CID 3105341
N,N'-bis[(E)-(3-bromophenyl)methylideneamino]propanediamide
CID 6894427
N-(3-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide
CID 5190370
N-(4-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide
CID 3309174
N-[(E)-(3-bromophenyl)methylideneamino]-2-hydroxyacetamide
CID 5334797
N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
CID 45054475
4-anilino-N-[(E)-(3-bromophenyl)methylideneamino]butanamide
CID 5331391
N-[(Z)-(3-bromophenyl)methylideneamino]-3-phenylsulfanylpropanamide
CID 6005980
N-[(E)-(3-bromophenyl)methylideneamino]-5-(4-methylphenyl)-4-oxopentanamide
CID 172928894
(4S)-N-[(Z)-(3-bromophenyl)methylideneamino]-4-hydroxy-4-phenylbutanamide
CID 40650959
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2,6-dimethylanilino)acetamide
CID 6078696
N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 4084520

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(3-bromophenyl)methylideneamino]-N-methylhexanediamide?
The IUPAC name of N'-[(Z)-(3-bromophenyl)methylideneamino]-N-methylhexanediamide (CID 6056765) is N'-[(Z)-(3-bromophenyl)methylideneamino]-N-methylhexanediamide.
What is the SMILES notation for N'-[(Z)-(3-bromophenyl)methylideneamino]-N-methylhexanediamide?
The canonical SMILES for N'-[(Z)-(3-bromophenyl)methylideneamino]-N-methylhexanediamide is CNC(=O)CCCCC(=O)N/N=C\c1cccc(Br)c1.
What is the InChIKey of N'-[(Z)-(3-bromophenyl)methylideneamino]-N-methylhexanediamide?
The InChIKey is NNVMUIBLPIGYIC-YVLHZVERSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-16-13(19)7-2-3-8-14(20)18-17-10-11-5-4-6-12(15)9-11/h4-6,9-10H,2-3,7-8H2,1H3,(H,16,19)(H,18,20)/b17-10-.
What are the key properties of N'-[(Z)-(3-bromophenyl)methylideneamino]-N-methylhexanediamide?
N'-[(Z)-(3-bromophenyl)methylideneamino]-N-methylhexanediamide has a molecular weight of 340.22 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(3-bromophenyl)methylideneamino]-N-methylhexanediamide is sourced from PubChem (CID 6056765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).