2-(4-methylphenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide

C17H18N2O2 — CID 968439

IUPAC2-(4-methylphenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
SMILESCc1ccc(OCC(=O)NN=Cc2cccc(C)c2)cc1
InChIInChI=1S/C17H18N2O2/c1-13-6-8-16(9-7-13)21-12-17(20)19-18-11-15-5-3-4-14(2)10-15/h3-11H,12H2,1-2H3,(H,19,20)
InChIKeyJHRTWYNAJJUTIW-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.83
Rot. Bonds5

About 2-(4-methylphenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide

2-(4-methylphenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide (PubChem CID 968439) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
PubChem CID968439
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-(4-methylphenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
SMILESCc1ccc(OCC(=O)NN=Cc2cccc(C)c2)cc1
InChIInChI=1S/C17H18N2O2/c1-13-6-8-16(9-7-13)21-12-17(20)19-18-11-15-5-3-4-14(2)10-15/h3-11H,12H2,1-2H3,(H,19,20)
InChIKeyJHRTWYNAJJUTIW-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
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

N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 5418273
2-(4-methylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 968437
2-(4-methylphenoxy)-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 5401746
2-(4-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5404935
N-[(4-ethoxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 689841
N-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 6106681
N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5410676
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5410677
N-[(3-ethenylphenyl)methylideneamino]-2-[4-[2-[2-[(3-ethenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide
CID 75083253
N-[(Z)-[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenoxy)acetamide
CID 6172690
2-(2-chlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 905230
2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 5427428

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide (CID 968439) is 2-(4-methylphenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide is Cc1ccc(OCC(=O)NN=Cc2cccc(C)c2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide?
The InChIKey is JHRTWYNAJJUTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-13-6-8-16(9-7-13)21-12-17(20)19-18-11-15-5-3-4-14(2)10-15/h3-11H,12H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-methylphenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide?
2-(4-methylphenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide has a molecular weight of 282.34 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 968439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).