2-[(E)-(4-tert-butylphenyl)methylideneamino]oxy-N-[(2,4-dichlorophenyl)methyl]acetamide

C20H22Cl2N2O2 — CID 6905651

IUPAC2-[(E)-(4-tert-butylphenyl)methylideneamino]oxy-N-[(2,4-dichlorophenyl)methyl]acetamide
SMILESCC(C)(C)c1ccc(/C=N/OCC(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H22Cl2N2O2/c1-20(2,3)16-7-4-14(5-8-16)11-24-26-13-19(25)23-12-15-6-9-17(21)10-18(15)22/h4-11H,12-13H2,1-3H3,(H,23,25)/b24-11+
InChIKeyZYDSQADDGQJCHC-BHGWPJFGSA-N
MW393.31 g/mol
LogP4.96
Rot. Bonds6

About 2-[(E)-(4-tert-butylphenyl)methylideneamino]oxy-N-[(2,4-dichlorophenyl)methyl]acetamide

2-[(E)-(4-tert-butylphenyl)methylideneamino]oxy-N-[(2,4-dichlorophenyl)methyl]acetamide (PubChem CID 6905651) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is 2-[(E)-(4-tert-butylphenyl)methylideneamino]oxy-N-[(2,4-dichlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(E)-(4-tert-butylphenyl)methylideneamino]oxy-N-[(2,4-dichlorophenyl)methyl]acetamide
PubChem CID6905651
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name2-[(E)-(4-tert-butylphenyl)methylideneamino]oxy-N-[(2,4-dichlorophenyl)methyl]acetamide
SMILESCC(C)(C)c1ccc(/C=N/OCC(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H22Cl2N2O2/c1-20(2,3)16-7-4-14(5-8-16)11-24-26-13-19(25)23-12-15-6-9-17(21)10-18(15)22/h4-11H,12-13H2,1-3H3,(H,23,25)/b24-11+
InChIKeyZYDSQADDGQJCHC-BHGWPJFGSA-N
XLogP4.96
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.96
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

N-[(2,4-dichlorophenyl)methyl]-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 7670318
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate
CID 7891762
2-[(Z)-benzylideneamino]oxy-N-[(2-chlorophenyl)methyl]acetamide
CID 7643814
N-[(3-chlorophenyl)methyl]-2-[(Z)-(4-ethylphenyl)methylideneamino]oxyacetamide
CID 7699104
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 7984592
N-(4-tert-butylphenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7914224
N-[(2,4-dichlorophenyl)methyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 7927947
N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713902
(E)-N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 7927939
N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
CID 70030657
2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(2,4,6-trichlorophenyl)acetamide
CID 7702368
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2614690

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(4-tert-butylphenyl)methylideneamino]oxy-N-[(2,4-dichlorophenyl)methyl]acetamide?
The IUPAC name of 2-[(E)-(4-tert-butylphenyl)methylideneamino]oxy-N-[(2,4-dichlorophenyl)methyl]acetamide (CID 6905651) is 2-[(E)-(4-tert-butylphenyl)methylideneamino]oxy-N-[(2,4-dichlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(E)-(4-tert-butylphenyl)methylideneamino]oxy-N-[(2,4-dichlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(E)-(4-tert-butylphenyl)methylideneamino]oxy-N-[(2,4-dichlorophenyl)methyl]acetamide is CC(C)(C)c1ccc(/C=N/OCC(=O)NCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-[(E)-(4-tert-butylphenyl)methylideneamino]oxy-N-[(2,4-dichlorophenyl)methyl]acetamide?
The InChIKey is ZYDSQADDGQJCHC-BHGWPJFGSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-20(2,3)16-7-4-14(5-8-16)11-24-26-13-19(25)23-12-15-6-9-17(21)10-18(15)22/h4-11H,12-13H2,1-3H3,(H,23,25)/b24-11+.
What are the key properties of 2-[(E)-(4-tert-butylphenyl)methylideneamino]oxy-N-[(2,4-dichlorophenyl)methyl]acetamide?
2-[(E)-(4-tert-butylphenyl)methylideneamino]oxy-N-[(2,4-dichlorophenyl)methyl]acetamide has a molecular weight of 393.31 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(4-tert-butylphenyl)methylideneamino]oxy-N-[(2,4-dichlorophenyl)methyl]acetamide is sourced from PubChem (CID 6905651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).