N-(benzylideneamino)-2-(2,4-dimethylanilino)acetamide

C17H19N3O — CID 967979

IUPACN-(benzylideneamino)-2-(2,4-dimethylanilino)acetamide
SMILESCc1ccc(NCC(=O)NN=Cc2ccccc2)c(C)c1
InChIInChI=1S/C17H19N3O/c1-13-8-9-16(14(2)10-13)18-12-17(21)20-19-11-15-6-4-3-5-7-15/h3-11,18H,12H2,1-2H3,(H,20,21)
InChIKeyQRRHAPQBRDIYIB-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.87
Rot. Bonds5

About N-(benzylideneamino)-2-(2,4-dimethylanilino)acetamide

N-(benzylideneamino)-2-(2,4-dimethylanilino)acetamide (PubChem CID 967979) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(benzylideneamino)-2-(2,4-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-(benzylideneamino)-2-(2,4-dimethylanilino)acetamide
PubChem CID967979
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-(benzylideneamino)-2-(2,4-dimethylanilino)acetamide
SMILESCc1ccc(NCC(=O)NN=Cc2ccccc2)c(C)c1
InChIInChI=1S/C17H19N3O/c1-13-8-9-16(14(2)10-13)18-12-17(21)20-19-11-15-6-4-3-5-7-15/h3-11,18H,12H2,1-2H3,(H,20,21)
InChIKeyQRRHAPQBRDIYIB-UHFFFAOYSA-N
XLogP2.87
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.87
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

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)-(2,4-dimethylphenyl)methylideneamino]acetamide
CID 5419156
N-(benzylideneamino)-2-(4-methylanilino)acetamide
CID 689462
N-[(E)-benzylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143773
2-(2,4-dimethylanilino)-N-[(2-ethoxyphenyl)methylideneamino]acetamide
CID 968035
2-(2,4-dimethylanilino)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]acetamide
CID 5427807
N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 4630450
2-(4-chloro-2-methylanilino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135719923
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 136742656
2-(2,4-dimethylanilino)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136899302

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-2-(2,4-dimethylanilino)acetamide?
The IUPAC name of N-(benzylideneamino)-2-(2,4-dimethylanilino)acetamide (CID 967979) is N-(benzylideneamino)-2-(2,4-dimethylanilino)acetamide.
What is the SMILES notation for N-(benzylideneamino)-2-(2,4-dimethylanilino)acetamide?
The canonical SMILES for N-(benzylideneamino)-2-(2,4-dimethylanilino)acetamide is Cc1ccc(NCC(=O)NN=Cc2ccccc2)c(C)c1.
What is the InChIKey of N-(benzylideneamino)-2-(2,4-dimethylanilino)acetamide?
The InChIKey is QRRHAPQBRDIYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13-8-9-16(14(2)10-13)18-12-17(21)20-19-11-15-6-4-3-5-7-15/h3-11,18H,12H2,1-2H3,(H,20,21).
What are the key properties of N-(benzylideneamino)-2-(2,4-dimethylanilino)acetamide?
N-(benzylideneamino)-2-(2,4-dimethylanilino)acetamide has a molecular weight of 281.36 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-2-(2,4-dimethylanilino)acetamide is sourced from PubChem (CID 967979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).