N-(2,4-dimethylphenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide

C25H26N2O4 — CID 3894304

IUPACN-(2,4-dimethylphenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
SMILESCOc1cc(C=NOCC(=O)Nc2ccc(C)cc2C)ccc1OCc1ccccc1
InChIInChI=1S/C25H26N2O4/c1-18-9-11-22(19(2)13-18)27-25(28)17-31-26-15-21-10-12-23(24(14-21)29-3)30-16-20-7-5-4-6-8-20/h4-15H,16-17H2,1-3H3,(H,27,28)
InChIKeyQEZQZGDQZINNHV-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.88
Rot. Bonds9

About N-(2,4-dimethylphenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide

N-(2,4-dimethylphenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide (PubChem CID 3894304) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
PubChem CID3894304
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC NameN-(2,4-dimethylphenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
SMILESCOc1cc(C=NOCC(=O)Nc2ccc(C)cc2C)ccc1OCc1ccccc1
InChIInChI=1S/C25H26N2O4/c1-18-9-11-22(19(2)13-18)27-25(28)17-31-26-15-21-10-12-23(24(14-21)29-3)30-16-20-7-5-4-6-8-20/h4-15H,16-17H2,1-3H3,(H,27,28)
InChIKeyQEZQZGDQZINNHV-UHFFFAOYSA-N
XLogP4.88
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-chloro-4,6-dimethylphenyl)-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
CID 24607111
2-[(3,4-diethoxyphenyl)methylideneamino]oxy-N-(2,4-dimethylphenyl)acetamide
CID 3371511
2-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(2-methoxy-5-methylphenyl)acetamide
CID 7662790
N-(2,5-dimethylphenyl)-2-[(Z)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]oxyacetamide
CID 7699940
N-[4-(difluoromethoxy)phenyl]-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
CID 6893064
N-(2,4-dimethylphenyl)-N'-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 3685018
2-[(E)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 124548221
2-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 3881838
2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-(2,4,6-trimethylphenyl)acetamide
CID 7669003
2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide
CID 42971257
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
CID 46698013
2-[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 4682317

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide (CID 3894304) is N-(2,4-dimethylphenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide is COc1cc(C=NOCC(=O)Nc2ccc(C)cc2C)ccc1OCc1ccccc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide?
The InChIKey is QEZQZGDQZINNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-18-9-11-22(19(2)13-18)27-25(28)17-31-26-15-21-10-12-23(24(14-21)29-3)30-16-20-7-5-4-6-8-20/h4-15H,16-17H2,1-3H3,(H,27,28).
What are the key properties of N-(2,4-dimethylphenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide?
N-(2,4-dimethylphenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide has a molecular weight of 418.49 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 3894304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).