N'-[(2,3-dimethoxyphenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide

C20H23N3O4 — CID 4270382

IUPACN'-[(2,3-dimethoxyphenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide
SMILESCOc1cccc(C=NNC(=O)CC(=O)Nc2ccc(C)cc2C)c1OC
InChIInChI=1S/C20H23N3O4/c1-13-8-9-16(14(2)10-13)22-18(24)11-19(25)23-21-12-15-6-5-7-17(26-3)20(15)27-4/h5-10,12H,11H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyZYPZAUQSNZYENS-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.80
Rot. Bonds7

About N'-[(2,3-dimethoxyphenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide

N'-[(2,3-dimethoxyphenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide (PubChem CID 4270382) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N'-[(2,3-dimethoxyphenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide.

Molecular Properties

Compound NameN'-[(2,3-dimethoxyphenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide
PubChem CID4270382
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN'-[(2,3-dimethoxyphenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide
SMILESCOc1cccc(C=NNC(=O)CC(=O)Nc2ccc(C)cc2C)c1OC
InChIInChI=1S/C20H23N3O4/c1-13-8-9-16(14(2)10-13)22-18(24)11-19(25)23-21-12-15-6-5-7-17(26-3)20(15)27-4/h5-10,12H,11H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyZYPZAUQSNZYENS-UHFFFAOYSA-N
XLogP2.80
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N'-[(2,3-dimethoxyphenyl)methylideneamino]-N-(2,4-dimethylphenyl)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-(2,4-dimethylanilino)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136899302
N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 135717008
N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide
CID 135613448
[2-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 5474234
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide
CID 5445937
N-(2-chloro-4-methylphenyl)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 7703823
1-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-3-(2,6-dimethylphenyl)urea
CID 77108051
methyl 2-[4-[[[3-(2,4-dimethylanilino)-3-oxopropanoyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 3357338
N'-[(2,4-dichlorophenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide
CID 3337673
1-[(2,3-dimethoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea
CID 4981057
N'-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide
CID 6018671
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]tetradecanamide
CID 51060988

Frequently Asked Questions

What is the IUPAC name of N'-[(2,3-dimethoxyphenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide?
The IUPAC name of N'-[(2,3-dimethoxyphenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide (CID 4270382) is N'-[(2,3-dimethoxyphenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide.
What is the SMILES notation for N'-[(2,3-dimethoxyphenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide?
The canonical SMILES for N'-[(2,3-dimethoxyphenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide is COc1cccc(C=NNC(=O)CC(=O)Nc2ccc(C)cc2C)c1OC.
What is the InChIKey of N'-[(2,3-dimethoxyphenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide?
The InChIKey is ZYPZAUQSNZYENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13-8-9-16(14(2)10-13)22-18(24)11-19(25)23-21-12-15-6-5-7-17(26-3)20(15)27-4/h5-10,12H,11H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N'-[(2,3-dimethoxyphenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide?
N'-[(2,3-dimethoxyphenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide has a molecular weight of 369.42 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,3-dimethoxyphenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide is sourced from PubChem (CID 4270382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).