2-phenoxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide

C18H20N2O2 — CID 5331243

IUPAC2-phenoxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
SMILESCc1cc(C)c(/C=N/NC(=O)COc2ccccc2)c(C)c1
InChIInChI=1S/C18H20N2O2/c1-13-9-14(2)17(15(3)10-13)11-19-20-18(21)12-22-16-7-5-4-6-8-16/h4-11H,12H2,1-3H3,(H,20,21)/b19-11+
InChIKeyQWZPGGZIRXSGLL-YBFXNURJSA-N
MW296.37 g/mol
LogP3.14
Rot. Bonds5

About 2-phenoxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide

2-phenoxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide (PubChem CID 5331243) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-phenoxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
PubChem CID5331243
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-phenoxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
SMILESCc1cc(C)c(/C=N/NC(=O)COc2ccccc2)c(C)c1
InChIInChI=1S/C18H20N2O2/c1-13-9-14(2)17(15(3)10-13)11-19-20-18(21)12-22-16-7-5-4-6-8-16/h4-11H,12H2,1-3H3,(H,20,21)/b19-11+
InChIKeyQWZPGGZIRXSGLL-YBFXNURJSA-N
XLogP3.14
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.14
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-(3-methylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 968480
N-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 6106681
N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 5418273
2-(2-propan-2-ylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 922557
2-(2-nitrophenoxy)-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 9467219
N-[(E)-ethylideneamino]-2-phenoxyacetamide
CID 6533905
N-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide
CID 9315633
2-(4-methylphenoxy)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 867406
N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-phenoxyacetamide
CID 3510874
N-[(5-methylfuran-2-yl)methylideneamino]-2-phenoxyacetamide
CID 913599
2-phenoxy-N-[(Z)-propylideneamino]acetamide
CID 6119028
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 3529778

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-phenoxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide (CID 5331243) is 2-phenoxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-phenoxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-phenoxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide is Cc1cc(C)c(/C=N/NC(=O)COc2ccccc2)c(C)c1.
What is the InChIKey of 2-phenoxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide?
The InChIKey is QWZPGGZIRXSGLL-YBFXNURJSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-9-14(2)17(15(3)10-13)11-19-20-18(21)12-22-16-7-5-4-6-8-16/h4-11H,12H2,1-3H3,(H,20,21)/b19-11+.
What are the key properties of 2-phenoxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide?
2-phenoxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide has a molecular weight of 296.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 5331243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).