3-methyl-N-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide

C20H23N3O2 — CID 5412307

IUPAC3-methyl-N-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1cccc(C)c1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H23N3O2/c1-15-4-3-5-18(14-15)20(24)22-21-16(2)17-6-8-19(9-7-17)23-10-12-25-13-11-23/h3-9,14H,10-13H2,1-2H3,(H,22,24)/b21-16+
InChIKeyHVIQQFLSMCRBEQ-LTGZKZEYSA-N
MW337.42 g/mol
LogP2.99
Rot. Bonds4

About 3-methyl-N-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide

3-methyl-N-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide (PubChem CID 5412307) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-methyl-N-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide
PubChem CID5412307
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-methyl-N-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1cccc(C)c1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H23N3O2/c1-15-4-3-5-18(14-15)20(24)22-21-16(2)17-6-8-19(9-7-17)23-10-12-25-13-11-23/h3-9,14H,10-13H2,1-2H3,(H,22,24)/b21-16+
InChIKeyHVIQQFLSMCRBEQ-LTGZKZEYSA-N
XLogP2.99
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
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'}

Analyze 3-methyl-N-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]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 3-methyl-N-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide?
The IUPAC name of 3-methyl-N-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide (CID 5412307) is 3-methyl-N-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 3-methyl-N-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide?
The canonical SMILES for 3-methyl-N-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide is C/C(=N\NC(=O)c1cccc(C)c1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 3-methyl-N-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide?
The InChIKey is HVIQQFLSMCRBEQ-LTGZKZEYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15-4-3-5-18(14-15)20(24)22-21-16(2)17-6-8-19(9-7-17)23-10-12-25-13-11-23/h3-9,14H,10-13H2,1-2H3,(H,22,24)/b21-16+.
What are the key properties of 3-methyl-N-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide?
3-methyl-N-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide has a molecular weight of 337.42 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 5412307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).