N-[(E)-benzylideneamino]heptanamide

C14H20N2O — CID 6083821

IUPACN-[(E)-benzylideneamino]heptanamide
SMILESCCCCCCC(=O)N/N=C/c1ccccc1
InChIInChI=1S/C14H20N2O/c1-2-3-4-8-11-14(17)16-15-12-13-9-6-5-7-10-13/h5-7,9-10,12H,2-4,8,11H2,1H3,(H,16,17)/b15-12+
InChIKeyXZAUWKUFPLFWAI-NTCAYCPXSA-N
MW232.33 g/mol
LogP3.11
Rot. Bonds7

About N-[(E)-benzylideneamino]heptanamide

N-[(E)-benzylideneamino]heptanamide (PubChem CID 6083821) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]heptanamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]heptanamide
PubChem CID6083821
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[(E)-benzylideneamino]heptanamide
SMILESCCCCCCC(=O)N/N=C/c1ccccc1
InChIInChI=1S/C14H20N2O/c1-2-3-4-8-11-14(17)16-15-12-13-9-6-5-7-10-13/h5-7,9-10,12H,2-4,8,11H2,1H3,(H,16,17)/b15-12+
InChIKeyXZAUWKUFPLFWAI-NTCAYCPXSA-N
XLogP3.11
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.11
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-(benzylideneamino)decanamide
CID 3430585
N'-[(E)-benzylideneamino]-N-butylhexanediamide
CID 171980947
N-[(E)-benzylideneamino]butanamide
CID 6872028
4-[(octanoylhydrazinylidene)methyl]benzoic acid
CID 171131907
(4R)-N-[(Z)-benzylideneamino]-4-hydroxyundecanamide
CID 94855865
N-[(E)-(4-methylphenyl)methylideneamino]octanamide
CID 6042307
N-[(E)-pyridin-4-ylmethylideneamino]hexadecanamide
CID 45055038
N-[(4-ethylphenyl)methylideneamino]heptanamide
CID 4107938
methyl 8-[(2E)-2-benzylidenehydrazinyl]-8-oxooctanoate
CID 23864470
N-[(E)-(4-propylphenyl)methylideneamino]decanamide
CID 6012136
N-[(E)-(4-tert-butylphenyl)methylideneamino]nonanamide
CID 6012632
N-[(4-phenylmethoxyphenyl)methylideneamino]hexadecanamide
CID 3861652

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]heptanamide?
The IUPAC name of N-[(E)-benzylideneamino]heptanamide (CID 6083821) is N-[(E)-benzylideneamino]heptanamide.
What is the SMILES notation for N-[(E)-benzylideneamino]heptanamide?
The canonical SMILES for N-[(E)-benzylideneamino]heptanamide is CCCCCCC(=O)N/N=C/c1ccccc1.
What is the InChIKey of N-[(E)-benzylideneamino]heptanamide?
The InChIKey is XZAUWKUFPLFWAI-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-3-4-8-11-14(17)16-15-12-13-9-6-5-7-10-13/h5-7,9-10,12H,2-4,8,11H2,1H3,(H,16,17)/b15-12+.
What are the key properties of N-[(E)-benzylideneamino]heptanamide?
N-[(E)-benzylideneamino]heptanamide has a molecular weight of 232.33 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]heptanamide is sourced from PubChem (CID 6083821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).