N-[2,6-di(propan-2-yl)phenyl]-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide

C22H28N2O2 — CID 7705493

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
SMILESCc1ccc(/C=N\OCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1
InChIInChI=1S/C22H28N2O2/c1-15(2)19-7-6-8-20(16(3)4)22(19)24-21(25)14-26-23-13-18-11-9-17(5)10-12-18/h6-13,15-16H,14H2,1-5H3,(H,24,25)/b23-13-
InChIKeyMOZCZKPNTSNMCT-QRVIBDJDSA-N
MW352.48 g/mol
LogP5.23
Rot. Bonds7

About N-[2,6-di(propan-2-yl)phenyl]-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide

N-[2,6-di(propan-2-yl)phenyl]-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide (PubChem CID 7705493) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
PubChem CID7705493
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
SMILESCc1ccc(/C=N\OCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1
InChIInChI=1S/C22H28N2O2/c1-15(2)19-7-6-8-20(16(3)4)22(19)24-21(25)14-26-23-13-18-11-9-17(5)10-12-18/h6-13,15-16H,14H2,1-5H3,(H,24,25)/b23-13-
InChIKeyMOZCZKPNTSNMCT-QRVIBDJDSA-N
XLogP5.23
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.23
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-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 18276134
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,6-dimethylphenyl)acetamide
CID 7700741
N-(3-bromophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705224
N-(2-ethyl-6-methylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide
CID 7702529
N-(4-ethoxyphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705393
2-[(Z)-(4-methylphenyl)methylideneamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7705192
N-(5-methyl-1,2-oxazol-3-yl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705533
4-[[2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetyl]amino]benzamide
CID 7705350
N-(2,4-dimethylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide
CID 7702407
2-[(Z)-(4-methylphenyl)methylideneamino]oxy-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7705403
2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(2,4,6-trichlorophenyl)acetamide
CID 7702368
N-(4-cyanophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705396

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide (CID 7705493) is N-[2,6-di(propan-2-yl)phenyl]-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide is Cc1ccc(/C=N\OCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide?
The InChIKey is MOZCZKPNTSNMCT-QRVIBDJDSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-15(2)19-7-6-8-20(16(3)4)22(19)24-21(25)14-26-23-13-18-11-9-17(5)10-12-18/h6-13,15-16H,14H2,1-5H3,(H,24,25)/b23-13-.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide?
N-[2,6-di(propan-2-yl)phenyl]-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide has a molecular weight of 352.48 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 7705493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).