N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenoxyacetamide

C17H18N2O2 — CID 19685184

IUPACN-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenoxyacetamide
SMILESC/C(=N\NC(=O)COc1ccccc1)c1cccc(C)c1
InChIInChI=1S/C17H18N2O2/c1-13-7-6-8-15(11-13)14(2)18-19-17(20)12-21-16-9-4-3-5-10-16/h3-11H,12H2,1-2H3,(H,19,20)/b18-14+
InChIKeyXBUYWRYQNFEPCL-NBVRZTHBSA-N
MW282.34 g/mol
LogP2.91
Rot. Bonds5

About N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenoxyacetamide

N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenoxyacetamide (PubChem CID 19685184) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenoxyacetamide
PubChem CID19685184
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenoxyacetamide
SMILESC/C(=N\NC(=O)COc1ccccc1)c1cccc(C)c1
InChIInChI=1S/C17H18N2O2/c1-13-7-6-8-15(11-13)14(2)18-19-17(20)12-21-16-9-4-3-5-10-16/h3-11H,12H2,1-2H3,(H,19,20)/b18-14+
InChIKeyXBUYWRYQNFEPCL-NBVRZTHBSA-N
XLogP2.91
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
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-phenoxy-N-(1-phenylethylideneamino)acetamide
CID 3448907
2-(3-methylphenoxy)-N-[1-(4-methylphenyl)ethylideneamino]acetamide
CID 968545
N-(1-naphthalen-2-ylethylideneamino)-2-phenoxyacetamide
CID 913446
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 969299
2-(3-methylphenoxy)-N-[(Z)-1-(4-propoxyphenyl)ethylideneamino]acetamide
CID 7934604
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 6938758
2-(3,4-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 71950740
2-(4-iodophenoxy)-N-[(Z)-1-phenylethylideneamino]acetamide
CID 171980951
N-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 4657371
2-(2,5-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 958391
2-(4-bromophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 9359044
N,N'-bis[1-(3-methylphenyl)ethylideneamino]hexanediamide
CID 4173231

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenoxyacetamide?
The IUPAC name of N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenoxyacetamide (CID 19685184) is N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenoxyacetamide.
What is the SMILES notation for N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenoxyacetamide?
The canonical SMILES for N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenoxyacetamide is C/C(=N\NC(=O)COc1ccccc1)c1cccc(C)c1.
What is the InChIKey of N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenoxyacetamide?
The InChIKey is XBUYWRYQNFEPCL-NBVRZTHBSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-13-7-6-8-15(11-13)14(2)18-19-17(20)12-21-16-9-4-3-5-10-16/h3-11H,12H2,1-2H3,(H,19,20)/b18-14+.
What are the key properties of N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenoxyacetamide?
N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenoxyacetamide has a molecular weight of 282.34 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenoxyacetamide is sourced from PubChem (CID 19685184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).