N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-hydroxybenzamide

C16H17N3O2 — CID 6864965

IUPACN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
SMILESCN(C)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C16H17N3O2/c1-19(2)14-7-3-12(4-8-14)11-17-18-16(21)13-5-9-15(20)10-6-13/h3-11,20H,1-2H3,(H,18,21)/b17-11+
InChIKeyHZGBUEIBRGHLGQ-GZTJUZNOSA-N
MW283.33 g/mol
LogP2.22
Rot. Bonds4

About N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-hydroxybenzamide

N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-hydroxybenzamide (PubChem CID 6864965) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
PubChem CID6864965
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
SMILESCN(C)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C16H17N3O2/c1-19(2)14-7-3-12(4-8-14)11-17-18-16(21)13-5-9-15(20)10-6-13/h3-11,20H,1-2H3,(H,18,21)/b17-11+
InChIKeyHZGBUEIBRGHLGQ-GZTJUZNOSA-N
XLogP2.22
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Gsk-9089
CID 5497124
n'-(4-(Diethylamino)-2-hydroxybenzylidene)-2-hydroxybenzohydrazide
CID 135472454
4-Aminobenzoic (2-hydroxybenzylidene)hydrazide
CID 135408682
Acyl Hydrazone, 10
CID 11404599
3-[4-(Dimethylamino)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 5468166
N-[[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 644030
N-(4-{[2-(3-hydroxybenzylidene)hydrazino]carbonyl}phenyl)cyclohexanecarboxamide
CID 6875721
N-(2-{[(2E)-2-(4-hydroxybenzylidene)hydrazinyl]carbonyl}phenyl)benzamide
CID 135625843
Benzamide, 4-methyl-N-[3-(4-hydroxybenzylidenhydrazinocarbonyl)phenyl]-
CID 135419955
2-Hydroxy-4-diethylaminobenzaldehyde 4-tert-butyl-benzoyl hydrazone
CID 135470886
4-hydroxy-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 6906421
N-[3-[N-[(4-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide
CID 25237420

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-hydroxybenzamide (CID 6864965) is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-hydroxybenzamide is CN(C)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1.
What is the InChIKey of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-hydroxybenzamide?
The InChIKey is HZGBUEIBRGHLGQ-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-19(2)14-7-3-12(4-8-14)11-17-18-16(21)13-5-9-15(20)10-6-13/h3-11,20H,1-2H3,(H,18,21)/b17-11+.
What are the key properties of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-hydroxybenzamide?
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-hydroxybenzamide has a molecular weight of 283.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 6864965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).