N-[(E)-benzylideneamino]butanamide

C11H14N2O — CID 6872028

IUPACN-[(E)-benzylideneamino]butanamide
SMILESCCCC(=O)N/N=C/c1ccccc1
InChIInChI=1S/C11H14N2O/c1-2-6-11(14)13-12-9-10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H,13,14)/b12-9+
InChIKeyZHUMVXDUGGICFL-FMIVXFBMSA-N
MW190.25 g/mol
LogP1.94
Rot. Bonds4

About N-[(E)-benzylideneamino]butanamide

N-[(E)-benzylideneamino]butanamide (PubChem CID 6872028) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]butanamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]butanamide
PubChem CID6872028
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC NameN-[(E)-benzylideneamino]butanamide
SMILESCCCC(=O)N/N=C/c1ccccc1
InChIInChI=1S/C11H14N2O/c1-2-6-11(14)13-12-9-10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H,13,14)/b12-9+
InChIKeyZHUMVXDUGGICFL-FMIVXFBMSA-N
XLogP1.94
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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]-N-butylhexanediamide
CID 171980947
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
N'-[(E)-benzylideneamino]-N-phenyloctanediamide
CID 23863272
N-[(E)-(3-nitrophenyl)methylideneamino]butanamide
CID 19629163
N-[(E)-2-phenylethylideneamino]butanamide
CID 17340082
N-[(4-hydroxyphenyl)methylideneamino]pentanamide
CID 4590132
N-(benzylideneamino)-4-(4-methylanilino)butanamide
CID 3551130
N,N'-bis[(4-ethylphenyl)methylideneamino]butanediamide
CID 3314148

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]butanamide?
The IUPAC name of N-[(E)-benzylideneamino]butanamide (CID 6872028) is N-[(E)-benzylideneamino]butanamide.
What is the SMILES notation for N-[(E)-benzylideneamino]butanamide?
The canonical SMILES for N-[(E)-benzylideneamino]butanamide is CCCC(=O)N/N=C/c1ccccc1.
What is the InChIKey of N-[(E)-benzylideneamino]butanamide?
The InChIKey is ZHUMVXDUGGICFL-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-6-11(14)13-12-9-10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H,13,14)/b12-9+.
What are the key properties of N-[(E)-benzylideneamino]butanamide?
N-[(E)-benzylideneamino]butanamide has a molecular weight of 190.25 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]butanamide is sourced from PubChem (CID 6872028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).