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

C18H21N3O — CID 6870927

IUPACN-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H21N3O/c1-3-21(4-2)17-12-10-15(11-13-17)14-19-20-18(22)16-8-6-5-7-9-16/h5-14H,3-4H2,1-2H3,(H,20,22)/b19-14+
InChIKeyHBZQDULNYRWEEB-XMHGGMMESA-N
MW295.39 g/mol
LogP3.30
Rot. Bonds6

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

N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide (PubChem CID 6870927) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide
PubChem CID6870927
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H21N3O/c1-3-21(4-2)17-12-10-15(11-13-17)14-19-20-18(22)16-8-6-5-7-9-16/h5-14H,3-4H2,1-2H3,(H,20,22)/b19-14+
InChIKeyHBZQDULNYRWEEB-XMHGGMMESA-N
XLogP3.30
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.30
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'}

Analyze N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide?
The IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide (CID 6870927) is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide is CCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide?
The InChIKey is HBZQDULNYRWEEB-XMHGGMMESA-N. The full InChI is InChI=1S/C18H21N3O/c1-3-21(4-2)17-12-10-15(11-13-17)14-19-20-18(22)16-8-6-5-7-9-16/h5-14H,3-4H2,1-2H3,(H,20,22)/b19-14+.
What are the key properties of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide?
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide has a molecular weight of 295.39 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 6870927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).