N-[(E)-(4-methylphenyl)methylideneamino]octanamide

C16H24N2O — CID 6042307

IUPACN-[(E)-(4-methylphenyl)methylideneamino]octanamide
SMILESCCCCCCCC(=O)N/N=C/c1ccc(C)cc1
InChIInChI=1S/C16H24N2O/c1-3-4-5-6-7-8-16(19)18-17-13-15-11-9-14(2)10-12-15/h9-13H,3-8H2,1-2H3,(H,18,19)/b17-13+
InChIKeyVYIDFRPFOFVOKI-GHRIWEEISA-N
MW260.38 g/mol
LogP3.81
Rot. Bonds8

About N-[(E)-(4-methylphenyl)methylideneamino]octanamide

N-[(E)-(4-methylphenyl)methylideneamino]octanamide (PubChem CID 6042307) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[(E)-(4-methylphenyl)methylideneamino]octanamide.

Molecular Properties

Compound NameN-[(E)-(4-methylphenyl)methylideneamino]octanamide
PubChem CID6042307
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[(E)-(4-methylphenyl)methylideneamino]octanamide
SMILESCCCCCCCC(=O)N/N=C/c1ccc(C)cc1
InChIInChI=1S/C16H24N2O/c1-3-4-5-6-7-8-16(19)18-17-13-15-11-9-14(2)10-12-15/h9-13H,3-8H2,1-2H3,(H,18,19)/b17-13+
InChIKeyVYIDFRPFOFVOKI-GHRIWEEISA-N
XLogP3.81
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(4-ethylphenyl)methylideneamino]heptanamide
CID 4107938
N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]decanamide
CID 75087369
N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]octadecanamide
CID 3709189
N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]decanamide
CID 45054424
N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585
4-[(octanoylhydrazinylidene)methyl]benzoic acid
CID 171131907
N-[(E)-(4-propylphenyl)methylideneamino]decanamide
CID 6012136
N-[(E)-(4-tert-butylphenyl)methylideneamino]nonanamide
CID 6012632
N-[(4-chlorophenyl)methylideneamino]hexanamide
CID 4197078
N-[(4-methoxyphenyl)methylideneamino]nonanamide
CID 4175341
N-[(4-butoxyphenyl)methylideneamino]dodecanamide
CID 3705573

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methylphenyl)methylideneamino]octanamide?
The IUPAC name of N-[(E)-(4-methylphenyl)methylideneamino]octanamide (CID 6042307) is N-[(E)-(4-methylphenyl)methylideneamino]octanamide.
What is the SMILES notation for N-[(E)-(4-methylphenyl)methylideneamino]octanamide?
The canonical SMILES for N-[(E)-(4-methylphenyl)methylideneamino]octanamide is CCCCCCCC(=O)N/N=C/c1ccc(C)cc1.
What is the InChIKey of N-[(E)-(4-methylphenyl)methylideneamino]octanamide?
The InChIKey is VYIDFRPFOFVOKI-GHRIWEEISA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-4-5-6-7-8-16(19)18-17-13-15-11-9-14(2)10-12-15/h9-13H,3-8H2,1-2H3,(H,18,19)/b17-13+.
What are the key properties of N-[(E)-(4-methylphenyl)methylideneamino]octanamide?
N-[(E)-(4-methylphenyl)methylideneamino]octanamide has a molecular weight of 260.38 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methylphenyl)methylideneamino]octanamide is sourced from PubChem (CID 6042307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).