N-[(E)-benzylideneamino]-2-(2,4-dimethylphenyl)acetamide

C17H18N2O — CID 133143773

IUPACN-[(E)-benzylideneamino]-2-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)N/N=C/c2ccccc2)c(C)c1
InChIInChI=1S/C17H18N2O/c1-13-8-9-16(14(2)10-13)11-17(20)19-18-12-15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,19,20)/b18-12+
InChIKeyLCRHCIXUKIQQOT-LDADJPATSA-N
MW266.34 g/mol
LogP3.00
Rot. Bonds4

About N-[(E)-benzylideneamino]-2-(2,4-dimethylphenyl)acetamide

N-[(E)-benzylideneamino]-2-(2,4-dimethylphenyl)acetamide (PubChem CID 133143773) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-2-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-2-(2,4-dimethylphenyl)acetamide
PubChem CID133143773
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-[(E)-benzylideneamino]-2-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)N/N=C/c2ccccc2)c(C)c1
InChIInChI=1S/C17H18N2O/c1-13-8-9-16(14(2)10-13)11-17(20)19-18-12-15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,19,20)/b18-12+
InChIKeyLCRHCIXUKIQQOT-LDADJPATSA-N
XLogP3.00
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-dimethylphenyl)-N-[(E)-(3-iodophenyl)methylideneamino]acetamide
CID 99944759
N-[(E)-(3-chlorophenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143775
2-(2,4-dimethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 92657855
2-(2,4-dimethylphenyl)-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 92657857
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133170937
2-(2,4-dimethylphenyl)-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 92657846
N-(benzylideneamino)-2-(2,4-dimethylanilino)acetamide
CID 967979
2-(2,4-dimethylphenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
CID 92657653
N-[(Z)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133145300
2-(2,4-dimethylphenyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 137258704
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-phenylacetamide
CID 5419138
N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143842

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The IUPAC name of N-[(E)-benzylideneamino]-2-(2,4-dimethylphenyl)acetamide (CID 133143773) is N-[(E)-benzylideneamino]-2-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for N-[(E)-benzylideneamino]-2-(2,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)N/N=C/c2ccccc2)c(C)c1.
What is the InChIKey of N-[(E)-benzylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The InChIKey is LCRHCIXUKIQQOT-LDADJPATSA-N. The full InChI is InChI=1S/C17H18N2O/c1-13-8-9-16(14(2)10-13)11-17(20)19-18-12-15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,19,20)/b18-12+.
What are the key properties of N-[(E)-benzylideneamino]-2-(2,4-dimethylphenyl)acetamide?
N-[(E)-benzylideneamino]-2-(2,4-dimethylphenyl)acetamide has a molecular weight of 266.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-2-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 133143773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).