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

C17H19N3O2 — CID 967994

IUPAC2-(2,4-dimethylanilino)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
SMILESCc1ccc(NCC(=O)NN=Cc2ccc(O)cc2)c(C)c1
InChIInChI=1S/C17H19N3O2/c1-12-3-8-16(13(2)9-12)18-11-17(22)20-19-10-14-4-6-15(21)7-5-14/h3-10,18,21H,11H2,1-2H3,(H,20,22)
InChIKeyACEQIDQTPHTESU-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.57
Rot. Bonds5

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

2-(2,4-dimethylanilino)-N-[(4-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 967994) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-N-[(4-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
PubChem CID967994
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-(2,4-dimethylanilino)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
SMILESCc1ccc(NCC(=O)NN=Cc2ccc(O)cc2)c(C)c1
InChIInChI=1S/C17H19N3O2/c1-12-3-8-16(13(2)9-12)18-11-17(22)20-19-10-14-4-6-15(21)7-5-14/h3-10,18,21H,11H2,1-2H3,(H,20,22)
InChIKeyACEQIDQTPHTESU-UHFFFAOYSA-N
XLogP2.57
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 4630248
N-[(4-chlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 968022
N-(benzylideneamino)-2-(2,4-dimethylanilino)acetamide
CID 967979
2-(4-chloro-2-methylanilino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135719923
2-(2,4-dimethylanilino)-N-[(Z)-(2,4-dimethylphenyl)methylideneamino]acetamide
CID 5419156
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 136742656
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide
CID 6157442
N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 4630450
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
N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 136672598
2-(2,4-dimethylanilino)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]acetamide
CID 5427807

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-N-[(4-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,4-dimethylanilino)-N-[(4-hydroxyphenyl)methylideneamino]acetamide (CID 967994) is 2-(2,4-dimethylanilino)-N-[(4-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dimethylanilino)-N-[(4-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dimethylanilino)-N-[(4-hydroxyphenyl)methylideneamino]acetamide is Cc1ccc(NCC(=O)NN=Cc2ccc(O)cc2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylanilino)-N-[(4-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is ACEQIDQTPHTESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-3-8-16(13(2)9-12)18-11-17(22)20-19-10-14-4-6-15(21)7-5-14/h3-10,18,21H,11H2,1-2H3,(H,20,22).
What are the key properties of 2-(2,4-dimethylanilino)-N-[(4-hydroxyphenyl)methylideneamino]acetamide?
2-(2,4-dimethylanilino)-N-[(4-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 297.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)-N-[(4-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 967994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).