N-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide

C16H16N2O2 — CID 6106681

IUPACN-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide
SMILESCc1ccc(/C=N/NC(=O)COc2ccccc2)cc1
InChIInChI=1S/C16H16N2O2/c1-13-7-9-14(10-8-13)11-17-18-16(19)12-20-15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,18,19)/b17-11+
InChIKeyGIDLJVYIOCEPHZ-GZTJUZNOSA-N
MW268.32 g/mol
LogP2.52
Rot. Bonds5

About N-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide

N-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide (PubChem CID 6106681) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide
PubChem CID6106681
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide
SMILESCc1ccc(/C=N/NC(=O)COc2ccccc2)cc1
InChIInChI=1S/C16H16N2O2/c1-13-7-9-14(10-8-13)11-17-18-16(19)12-20-15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,18,19)/b17-11+
InChIKeyGIDLJVYIOCEPHZ-GZTJUZNOSA-N
XLogP2.52
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.52
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-(4-methylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 968437
N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5410676
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5410677
2-phenoxy-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide
CID 92663646
2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 5427428
2-(4-methylphenoxy)-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 5401746
N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 5418273
N-tert-butyl-2-[4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide
CID 126003683
2-phenoxy-N-(pyridin-4-ylmethylideneamino)acetamide
CID 3543877
2-(4-methylphenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 968439
2-(3,4-dimethylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 71950738
2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide?
The IUPAC name of N-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide (CID 6106681) is N-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide.
What is the SMILES notation for N-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide?
The canonical SMILES for N-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide is Cc1ccc(/C=N/NC(=O)COc2ccccc2)cc1.
What is the InChIKey of N-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide?
The InChIKey is GIDLJVYIOCEPHZ-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-13-7-9-14(10-8-13)11-17-18-16(19)12-20-15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,18,19)/b17-11+.
What are the key properties of N-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide?
N-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide has a molecular weight of 268.32 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide is sourced from PubChem (CID 6106681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).