2-(2,4-dimethylanilino)-N-[(Z)-(2,4-dimethylphenyl)methylideneamino]acetamide

C19H23N3O — CID 5419156

IUPAC2-(2,4-dimethylanilino)-N-[(Z)-(2,4-dimethylphenyl)methylideneamino]acetamide
SMILESCc1ccc(/C=N\NC(=O)CNc2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C19H23N3O/c1-13-5-7-17(15(3)9-13)11-21-22-19(23)12-20-18-8-6-14(2)10-16(18)4/h5-11,20H,12H2,1-4H3,(H,22,23)/b21-11-
InChIKeySHIOHVGRLUXOSX-NHDPSOOVSA-N
MW309.41 g/mol
LogP3.48
Rot. Bonds5

About 2-(2,4-dimethylanilino)-N-[(Z)-(2,4-dimethylphenyl)methylideneamino]acetamide

2-(2,4-dimethylanilino)-N-[(Z)-(2,4-dimethylphenyl)methylideneamino]acetamide (PubChem CID 5419156) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-N-[(Z)-(2,4-dimethylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-N-[(Z)-(2,4-dimethylphenyl)methylideneamino]acetamide
PubChem CID5419156
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2-(2,4-dimethylanilino)-N-[(Z)-(2,4-dimethylphenyl)methylideneamino]acetamide
SMILESCc1ccc(/C=N\NC(=O)CNc2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C19H23N3O/c1-13-5-7-17(15(3)9-13)11-21-22-19(23)12-20-18-8-6-14(2)10-16(18)4/h5-11,20H,12H2,1-4H3,(H,22,23)/b21-11-
InChIKeySHIOHVGRLUXOSX-NHDPSOOVSA-N
XLogP3.48
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.48
H-Bond Donors ≤ 52
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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Related Compounds

N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 4630450
N-(benzylideneamino)-2-(2,4-dimethylanilino)acetamide
CID 967979
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 136742656
2-(2,4-dimethylanilino)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
CID 967994
N-[(4-bromophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 4630248
N-[(4-chlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 968022
2-(2,4-dimethylanilino)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]acetamide
CID 5427807
2-(2,4-dimethylanilino)-N-[(2-ethoxyphenyl)methylideneamino]acetamide
CID 968035
2-(2,4-dimethylanilino)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136899302
2-(2,4-dimethylanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 4630446
2-(2-methylanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 870845
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-phenylacetamide
CID 5419138

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-N-[(Z)-(2,4-dimethylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,4-dimethylanilino)-N-[(Z)-(2,4-dimethylphenyl)methylideneamino]acetamide (CID 5419156) is 2-(2,4-dimethylanilino)-N-[(Z)-(2,4-dimethylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dimethylanilino)-N-[(Z)-(2,4-dimethylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dimethylanilino)-N-[(Z)-(2,4-dimethylphenyl)methylideneamino]acetamide is Cc1ccc(/C=N\NC(=O)CNc2ccc(C)cc2C)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylanilino)-N-[(Z)-(2,4-dimethylphenyl)methylideneamino]acetamide?
The InChIKey is SHIOHVGRLUXOSX-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H23N3O/c1-13-5-7-17(15(3)9-13)11-21-22-19(23)12-20-18-8-6-14(2)10-16(18)4/h5-11,20H,12H2,1-4H3,(H,22,23)/b21-11-.
What are the key properties of 2-(2,4-dimethylanilino)-N-[(Z)-(2,4-dimethylphenyl)methylideneamino]acetamide?
2-(2,4-dimethylanilino)-N-[(Z)-(2,4-dimethylphenyl)methylideneamino]acetamide has a molecular weight of 309.41 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)-N-[(Z)-(2,4-dimethylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 5419156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).