N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide

C16H17N3O2 — CID 6870805

IUPACN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide
SMILESCN(C)c1ccc(/C=N/NC(=O)c2ccccc2O)cc1
InChIInChI=1S/C16H17N3O2/c1-19(2)13-9-7-12(8-10-13)11-17-18-16(21)14-5-3-4-6-15(14)20/h3-11,20H,1-2H3,(H,18,21)/b17-11+
InChIKeyBAFLYEAZPNXJML-GZTJUZNOSA-N
MW283.33 g/mol
LogP2.22
Rot. Bonds4

About N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide

N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide (PubChem CID 6870805) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide
PubChem CID6870805
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide
SMILESCN(C)c1ccc(/C=N/NC(=O)c2ccccc2O)cc1
InChIInChI=1S/C16H17N3O2/c1-19(2)13-9-7-12(8-10-13)11-17-18-16(21)14-5-3-4-6-15(14)20/h3-11,20H,1-2H3,(H,18,21)/b17-11+
InChIKeyBAFLYEAZPNXJML-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': 'hzone_anil_di_alk(35)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide (CID 6870805) is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide is CN(C)c1ccc(/C=N/NC(=O)c2ccccc2O)cc1.
What is the InChIKey of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide?
The InChIKey is BAFLYEAZPNXJML-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-19(2)13-9-7-12(8-10-13)11-17-18-16(21)14-5-3-4-6-15(14)20/h3-11,20H,1-2H3,(H,18,21)/b17-11+.
What are the key properties of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide?
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-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]-2-hydroxybenzamide is sourced from PubChem (CID 6870805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).