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

C16H17N3O — CID 6861475

IUPACN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
SMILESCN(C)c1ccc(/C=N/NC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H17N3O/c1-19(2)15-10-8-13(9-11-15)12-17-18-16(20)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,18,20)/b17-12+
InChIKeyDWXAPYADWDBIII-SFQUDFHCSA-N
MW267.33 g/mol
LogP2.52
Rot. Bonds4

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

N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide (PubChem CID 6861475) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
PubChem CID6861475
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
SMILESCN(C)c1ccc(/C=N/NC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H17N3O/c1-19(2)15-10-8-13(9-11-15)12-17-18-16(20)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,18,20)/b17-12+
InChIKeyDWXAPYADWDBIII-SFQUDFHCSA-N
XLogP2.52
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide?
The IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide (CID 6861475) is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide.
What is the SMILES notation for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide?
The canonical SMILES for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide is CN(C)c1ccc(/C=N/NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide?
The InChIKey is DWXAPYADWDBIII-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H17N3O/c1-19(2)15-10-8-13(9-11-15)12-17-18-16(20)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,18,20)/b17-12+.
What are the key properties of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide?
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide has a molecular weight of 267.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 6861475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).