2-(4-tert-butylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide

C20H21F3N2O2 — CID 2353273

IUPAC2-(4-tert-butylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H21F3N2O2/c1-19(2,3)15-8-10-17(11-9-15)27-13-18(26)25-24-12-14-4-6-16(7-5-14)20(21,22)23/h4-12H,13H2,1-3H3,(H,25,26)
InChIKeyLECWPYHIZYWZAQ-UHFFFAOYSA-N
MW378.39 g/mol
LogP4.53
Rot. Bonds5

About 2-(4-tert-butylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide

2-(4-tert-butylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide (PubChem CID 2353273) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
PubChem CID2353273
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name2-(4-tert-butylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H21F3N2O2/c1-19(2,3)15-8-10-17(11-9-15)27-13-18(26)25-24-12-14-4-6-16(7-5-14)20(21,22)23/h4-12H,13H2,1-3H3,(H,25,26)
InChIKeyLECWPYHIZYWZAQ-UHFFFAOYSA-N
XLogP4.53
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 54.53
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-(4-tert-butylphenoxy)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide
CID 19173269
2-(4-tert-butylphenoxy)-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
CID 5419819
2-(4-tert-butylphenoxy)-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]acetamide
CID 6141982
2-(3,4-dimethylphenoxy)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 9316162
2-(4-tert-butylphenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 6368055
2-(4-tert-butylphenoxy)-N-[(E)-(3,4-difluorophenyl)methylideneamino]acetamide
CID 6901833
2-(4-tert-butylphenoxy)-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]acetamide
CID 6901085
2-(4-tert-butylphenoxy)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 7750374
2-(4-tert-butylphenoxy)-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]acetamide
CID 135643849
2-(4-methylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 968437
2-(4-tert-butylphenoxy)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 2305878
[4-[(Z)-[[2-(4-tert-butylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 31087564

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide (CID 2353273) is 2-(4-tert-butylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide is CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The InChIKey is LECWPYHIZYWZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-19(2,3)15-8-10-17(11-9-15)27-13-18(26)25-24-12-14-4-6-16(7-5-14)20(21,22)23/h4-12H,13H2,1-3H3,(H,25,26).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide?
2-(4-tert-butylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide has a molecular weight of 378.39 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 2353273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).