N,N-dimethylformamide;N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide

C17H19N3O3 — CID 139068504

IUPACN,N-dimethylformamide;N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
SMILESCN(C)C=O.O=C(N/N=C/c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C14H12N2O2.C3H7NO/c17-13-8-6-11(7-9-13)10-15-16-14(18)12-4-2-1-3-5-12;1-4(2)3-5/h1-10,17H,(H,16,18);3H,1-2H3/b15-10+;
InChIKeyVBSONOLRYJTXFD-GYVLLFFHSA-N
MW313.36 g/mol
LogP1.86
Rot. Bonds4

About N,N-dimethylformamide;N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide

N,N-dimethylformamide;N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 139068504) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N,N-dimethylformamide;N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound NameN,N-dimethylformamide;N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
PubChem CID139068504
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN,N-dimethylformamide;N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
SMILESCN(C)C=O.O=C(N/N=C/c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C14H12N2O2.C3H7NO/c17-13-8-6-11(7-9-13)10-15-16-14(18)12-4-2-1-3-5-12;1-4(2)3-5/h1-10,17H,(H,16,18);3H,1-2H3/b15-10+;
InChIKeyVBSONOLRYJTXFD-GYVLLFFHSA-N
XLogP1.86
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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

4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 136661498
N-[(E)-[4-[benzyl(methyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide
CID 170647573
4-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 789070
N-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426
4-N-hydroxy-1-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 135883029
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 136852017
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 135400409
N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide
CID 45048078
4-amino-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 136742442
N-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide
CID 6906079
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]-trimethylazanium iodide
CID 54610188

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of N,N-dimethylformamide;N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide (CID 139068504) is N,N-dimethylformamide;N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for N,N-dimethylformamide;N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for N,N-dimethylformamide;N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide is CN(C)C=O.O=C(N/N=C/c1ccc(O)cc1)c1ccccc1.
What is the InChIKey of N,N-dimethylformamide;N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is VBSONOLRYJTXFD-GYVLLFFHSA-N. The full InChI is InChI=1S/C14H12N2O2.C3H7NO/c17-13-8-6-11(7-9-13)10-15-16-14(18)12-4-2-1-3-5-12;1-4(2)3-5/h1-10,17H,(H,16,18);3H,1-2H3/b15-10+;.
What are the key properties of N,N-dimethylformamide;N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide?
N,N-dimethylformamide;N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 313.36 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 139068504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).