N-[1-(4-tert-butylphenyl)ethylideneamino]-2-(3,5-dimethylphenoxy)acetamide

C22H28N2O2 — CID 1154035

IUPACN-[1-(4-tert-butylphenyl)ethylideneamino]-2-(3,5-dimethylphenoxy)acetamide
SMILESCC(=NNC(=O)COc1cc(C)cc(C)c1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H28N2O2/c1-15-11-16(2)13-20(12-15)26-14-21(25)24-23-17(3)18-7-9-19(10-8-18)22(4,5)6/h7-13H,14H2,1-6H3,(H,24,25)
InChIKeyHYJMIAHXEHZZNZ-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.52
Rot. Bonds5

About N-[1-(4-tert-butylphenyl)ethylideneamino]-2-(3,5-dimethylphenoxy)acetamide

N-[1-(4-tert-butylphenyl)ethylideneamino]-2-(3,5-dimethylphenoxy)acetamide (PubChem CID 1154035) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethylideneamino]-2-(3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethylideneamino]-2-(3,5-dimethylphenoxy)acetamide
PubChem CID1154035
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[1-(4-tert-butylphenyl)ethylideneamino]-2-(3,5-dimethylphenoxy)acetamide
SMILESCC(=NNC(=O)COc1cc(C)cc(C)c1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H28N2O2/c1-15-11-16(2)13-20(12-15)26-14-21(25)24-23-17(3)18-7-9-19(10-8-18)22(4,5)6/h7-13H,14H2,1-6H3,(H,24,25)
InChIKeyHYJMIAHXEHZZNZ-UHFFFAOYSA-N
XLogP4.52
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.52
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-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 6938758
2-(4-tert-butylphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135560522
N-[4-[N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 1376060
2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
CID 6368206
2-(3-methylphenoxy)-N-[1-(4-methylphenyl)ethylideneamino]acetamide
CID 968545
N-[4-[(Z)-N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide
CID 5433101
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 969299
2-(3,5-dimethylphenoxy)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide
CID 927162
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenoxy)acetamide
CID 5398012
2-(3,5-dimethylphenoxy)-N-(1-pyridin-2-ylethylideneamino)acetamide
CID 4542749
2-(2,6-dibromo-4-methylphenoxy)-N-[(E)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 46501283
N-[(E)-1-(4-tert-butylphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143871

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethylideneamino]-2-(3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethylideneamino]-2-(3,5-dimethylphenoxy)acetamide (CID 1154035) is N-[1-(4-tert-butylphenyl)ethylideneamino]-2-(3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethylideneamino]-2-(3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethylideneamino]-2-(3,5-dimethylphenoxy)acetamide is CC(=NNC(=O)COc1cc(C)cc(C)c1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethylideneamino]-2-(3,5-dimethylphenoxy)acetamide?
The InChIKey is HYJMIAHXEHZZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-15-11-16(2)13-20(12-15)26-14-21(25)24-23-17(3)18-7-9-19(10-8-18)22(4,5)6/h7-13H,14H2,1-6H3,(H,24,25).
What are the key properties of N-[1-(4-tert-butylphenyl)ethylideneamino]-2-(3,5-dimethylphenoxy)acetamide?
N-[1-(4-tert-butylphenyl)ethylideneamino]-2-(3,5-dimethylphenoxy)acetamide has a molecular weight of 352.48 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethylideneamino]-2-(3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 1154035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).