2-(2,4-dimethylphenoxy)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide

C19H22N2O5 — CID 135884298

IUPAC2-(2,4-dimethylphenoxy)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(/C=N/NC(=O)COc2ccc(C)cc2C)cc(OC)c1O
InChIInChI=1S/C19H22N2O5/c1-12-5-6-15(13(2)7-12)26-11-18(22)21-20-10-14-8-16(24-3)19(23)17(9-14)25-4/h5-10,23H,11H2,1-4H3,(H,21,22)/b20-10+
InChIKeyVQTXDDMKWACBGA-KEBDBYFISA-N
MW358.39 g/mol
LogP2.56
Rot. Bonds7

About 2-(2,4-dimethylphenoxy)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide

2-(2,4-dimethylphenoxy)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide (PubChem CID 135884298) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide
PubChem CID135884298
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name2-(2,4-dimethylphenoxy)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(/C=N/NC(=O)COc2ccc(C)cc2C)cc(OC)c1O
InChIInChI=1S/C19H22N2O5/c1-12-5-6-15(13(2)7-12)26-11-18(22)21-20-10-14-8-16(24-3)19(23)17(9-14)25-4/h5-10,23H,11H2,1-4H3,(H,21,22)/b20-10+
InChIKeyVQTXDDMKWACBGA-KEBDBYFISA-N
XLogP2.56
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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-dimethylphenoxy)-N-[(Z)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]acetamide
CID 17018818
2-(2,4-dimethylphenoxy)-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]acetamide
CID 17018810
2-(2,4-dimethylphenoxy)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
CID 6891509
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-phenoxyacetamide
CID 135738473
2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-4-methylphenyl)methylideneamino]acetamide
CID 780702
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2,4-dimethylphenoxy)acetamide
CID 3788031
2-(2,4-dimethylphenoxy)-N-[(E)-[3-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]acetamide
CID 19190457
N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 5124745
2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methylideneamino]acetamide
CID 4981135
2-(4-bromo-2-methylphenoxy)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 3422620
2-(2,4-dimethylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide
CID 19189781
N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 137063536

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide (CID 135884298) is 2-(2,4-dimethylphenoxy)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide is COc1cc(/C=N/NC(=O)COc2ccc(C)cc2C)cc(OC)c1O.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide?
The InChIKey is VQTXDDMKWACBGA-KEBDBYFISA-N. The full InChI is InChI=1S/C19H22N2O5/c1-12-5-6-15(13(2)7-12)26-11-18(22)21-20-10-14-8-16(24-3)19(23)17(9-14)25-4/h5-10,23H,11H2,1-4H3,(H,21,22)/b20-10+.
What are the key properties of 2-(2,4-dimethylphenoxy)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide?
2-(2,4-dimethylphenoxy)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide has a molecular weight of 358.39 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135884298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).