N-(2,4-dimethoxyphenyl)-2-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide

C20H24N2O4 — CID 78766612

IUPACN-(2,4-dimethoxyphenyl)-2-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide
SMILESCOc1ccc(NC(=O)CO/N=C/c2ccc(C(C)C)cc2)c(OC)c1
InChIInChI=1S/C20H24N2O4/c1-14(2)16-7-5-15(6-8-16)12-21-26-13-20(23)22-18-10-9-17(24-3)11-19(18)25-4/h5-12,14H,13H2,1-4H3,(H,22,23)/b21-12+
InChIKeyKQSLFWLDFNUSSJ-CIAFOILYSA-N
MW356.42 g/mol
LogP3.82
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-2-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide

N-(2,4-dimethoxyphenyl)-2-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide (PubChem CID 78766612) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide
PubChem CID78766612
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide
SMILESCOc1ccc(NC(=O)CO/N=C/c2ccc(C(C)C)cc2)c(OC)c1
InChIInChI=1S/C20H24N2O4/c1-14(2)16-7-5-15(6-8-16)12-21-26-13-20(23)22-18-10-9-17(24-3)11-19(18)25-4/h5-12,14H,13H2,1-4H3,(H,22,23)/b21-12+
InChIKeyKQSLFWLDFNUSSJ-CIAFOILYSA-N
XLogP3.82
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.82
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

2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,4-dimethoxyphenyl)acetamide
CID 7700967
N-(2-methoxyphenyl)-2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetamide
CID 6219592
N-(2,4-dimethylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide
CID 7702407
(3R)-N-(2,4-dimethoxyphenyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
CID 7323922
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2-methoxy-4-nitrophenyl)acetamide
CID 7700952
2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(2,4,6-trichlorophenyl)acetamide
CID 7702368
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethoxyphenyl)acetamide
CID 969414
1-(2,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991641
N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)butanamide
CID 110297262
N-(2-methylsulfonylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide
CID 9355558
N-(2,4-dimethoxyphenyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112999258
N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide (CID 78766612) is N-(2,4-dimethoxyphenyl)-2-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide is COc1ccc(NC(=O)CO/N=C/c2ccc(C(C)C)cc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide?
The InChIKey is KQSLFWLDFNUSSJ-CIAFOILYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-14(2)16-7-5-15(6-8-16)12-21-26-13-20(23)22-18-10-9-17(24-3)11-19(18)25-4/h5-12,14H,13H2,1-4H3,(H,22,23)/b21-12+.
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide?
N-(2,4-dimethoxyphenyl)-2-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide has a molecular weight of 356.42 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 78766612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).