N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]nonanamide

C17H25BrN2O2 — CID 5334708

IUPACN-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]nonanamide
SMILESCCCCCCCCC(=O)N/N=C/c1cc(Br)ccc1OC
InChIInChI=1S/C17H25BrN2O2/c1-3-4-5-6-7-8-9-17(21)20-19-13-14-12-15(18)10-11-16(14)22-2/h10-13H,3-9H2,1-2H3,(H,20,21)/b19-13+
InChIKeyXMBLYGDSWSWXDJ-CPNJWEJPSA-N
MW369.30 g/mol
LogP4.66
Rot. Bonds10

About N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]nonanamide

N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]nonanamide (PubChem CID 5334708) has the molecular formula C17H25BrN2O2 and a molecular weight of 369.30 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]nonanamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]nonanamide
PubChem CID5334708
Molecular FormulaC17H25BrN2O2
Molecular Weight369.30 g/mol
Exact Mass368.11
IUPAC NameN-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]nonanamide
SMILESCCCCCCCCC(=O)N/N=C/c1cc(Br)ccc1OC
InChIInChI=1S/C17H25BrN2O2/c1-3-4-5-6-7-8-9-17(21)20-19-13-14-12-15(18)10-11-16(14)22-2/h10-13H,3-9H2,1-2H3,(H,20,21)/b19-13+
InChIKeyXMBLYGDSWSWXDJ-CPNJWEJPSA-N
XLogP4.66
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 54.66
H-Bond Donors ≤ 51
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-[2-[(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]decanamide
CID 6142119
[4-bromo-2-[(hexadecanoylhydrazinylidene)methyl]phenyl] 3,4-dimethoxybenzoate
CID 3858566
[4-bromo-2-[(tetradecanoylhydrazinylidene)methyl]phenyl] 3,4-dimethoxybenzoate
CID 3677989
N,N'-bis[(5-bromo-2-propoxyphenyl)methylideneamino]heptanediamide
CID 4149823
N,N'-bis[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]heptanediamide
CID 6021856
N'-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-N-(2-hydroxyphenyl)heptanediamide
CID 44507470
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]hexanamide
CID 3623985
N-[(2,4,5-trimethoxyphenyl)methylideneamino]octanamide
CID 4657940
[4-bromo-2-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] 4-methylbenzoate
CID 6161992
[4-bromo-2-[(Z)-(octadecanoylhydrazinylidene)methyl]phenyl] 2-methylbenzoate
CID 6073966
[4-bromo-2-[(tetradecanoylhydrazinylidene)methyl]phenyl] 2-methylbenzoate
CID 4585319
N-[(E)-(5-bromo-2-octoxyphenyl)methylideneamino]-2-phenylacetamide
CID 124552591

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]nonanamide?
The IUPAC name of N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]nonanamide (CID 5334708) is N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]nonanamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]nonanamide?
The canonical SMILES for N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]nonanamide is CCCCCCCCC(=O)N/N=C/c1cc(Br)ccc1OC.
What is the InChIKey of N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]nonanamide?
The InChIKey is XMBLYGDSWSWXDJ-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H25BrN2O2/c1-3-4-5-6-7-8-9-17(21)20-19-13-14-12-15(18)10-11-16(14)22-2/h10-13H,3-9H2,1-2H3,(H,20,21)/b19-13+.
What are the key properties of N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]nonanamide?
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]nonanamide has a molecular weight of 369.30 g/mol, XLogP of 4.66, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]nonanamide is sourced from PubChem (CID 5334708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).