2-ethyl-N,N'-bis[(E)-(4-methylphenyl)methylideneamino]propanediamide

C21H24N4O2 — CID 45356627

IUPAC2-ethyl-N,N'-bis[(E)-(4-methylphenyl)methylideneamino]propanediamide
SMILESCCC(C(=O)N/N=C/c1ccc(C)cc1)C(=O)N/N=C/c1ccc(C)cc1
InChIInChI=1S/C21H24N4O2/c1-4-19(20(26)24-22-13-17-9-5-15(2)6-10-17)21(27)25-23-14-18-11-7-16(3)8-12-18/h5-14,19H,4H2,1-3H3,(H,24,26)(H,25,27)/b22-13+,23-14+
InChIKeyZYCXNVKBLVUHHI-MSKUYSOUSA-N
MW364.45 g/mol
LogP2.93
Rot. Bonds7

About 2-ethyl-N,N'-bis[(E)-(4-methylphenyl)methylideneamino]propanediamide

2-ethyl-N,N'-bis[(E)-(4-methylphenyl)methylideneamino]propanediamide (PubChem CID 45356627) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-ethyl-N,N'-bis[(E)-(4-methylphenyl)methylideneamino]propanediamide.

Molecular Properties

Compound Name2-ethyl-N,N'-bis[(E)-(4-methylphenyl)methylideneamino]propanediamide
PubChem CID45356627
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-ethyl-N,N'-bis[(E)-(4-methylphenyl)methylideneamino]propanediamide
SMILESCCC(C(=O)N/N=C/c1ccc(C)cc1)C(=O)N/N=C/c1ccc(C)cc1
InChIInChI=1S/C21H24N4O2/c1-4-19(20(26)24-22-13-17-9-5-15(2)6-10-17)21(27)25-23-14-18-11-7-16(3)8-12-18/h5-14,19H,4H2,1-3H3,(H,24,26)(H,25,27)/b22-13+,23-14+
InChIKeyZYCXNVKBLVUHHI-MSKUYSOUSA-N
XLogP2.93
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-ethyl-N,N'-bis[(E)-(4-methylphenyl)methylideneamino]propanediamide with MolForge

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

Launch Full Analysis

Related Compounds

2-ethyl-N,N'-bis[(E)-(4-fluorophenyl)methylideneamino]propanediamide
CID 90486858
N,N'-bis[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-ethylpropanediamide
CID 45356630
(2S)-N-[(Z)-(4-methylphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylpropanamide
CID 126122182
2-ethyl-N,N'-bis[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]propanediamide
CID 136803489
N-[(E)-(4-methylphenyl)methylideneamino]octanamide
CID 6042307
(2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide
CID 136670442
N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide
CID 6248388
N-[(Z)-[4-(4-methylphenyl)sulfanylphenyl]methylideneamino]acetamide
CID 126249111
(2S)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methylphenoxy)propanamide
CID 5449938
(2S)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methylphenoxy)propanamide
CID 39911228
N-[(4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)propanamide
CID 19165293
(2S)-N-[(Z)-(4-butoxyphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylpropanamide
CID 126134346

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,N'-bis[(E)-(4-methylphenyl)methylideneamino]propanediamide?
The IUPAC name of 2-ethyl-N,N'-bis[(E)-(4-methylphenyl)methylideneamino]propanediamide (CID 45356627) is 2-ethyl-N,N'-bis[(E)-(4-methylphenyl)methylideneamino]propanediamide.
What is the SMILES notation for 2-ethyl-N,N'-bis[(E)-(4-methylphenyl)methylideneamino]propanediamide?
The canonical SMILES for 2-ethyl-N,N'-bis[(E)-(4-methylphenyl)methylideneamino]propanediamide is CCC(C(=O)N/N=C/c1ccc(C)cc1)C(=O)N/N=C/c1ccc(C)cc1.
What is the InChIKey of 2-ethyl-N,N'-bis[(E)-(4-methylphenyl)methylideneamino]propanediamide?
The InChIKey is ZYCXNVKBLVUHHI-MSKUYSOUSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-4-19(20(26)24-22-13-17-9-5-15(2)6-10-17)21(27)25-23-14-18-11-7-16(3)8-12-18/h5-14,19H,4H2,1-3H3,(H,24,26)(H,25,27)/b22-13+,23-14+.
What are the key properties of 2-ethyl-N,N'-bis[(E)-(4-methylphenyl)methylideneamino]propanediamide?
2-ethyl-N,N'-bis[(E)-(4-methylphenyl)methylideneamino]propanediamide has a molecular weight of 364.45 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N'-bis[(E)-(4-methylphenyl)methylideneamino]propanediamide is sourced from PubChem (CID 45356627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).