2-(2-tert-butylphenoxy)-N-(2-iodophenyl)acetamide

C18H20INO2 — CID 36678366

IUPAC2-(2-tert-butylphenoxy)-N-(2-iodophenyl)acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1I
InChIInChI=1S/C18H20INO2/c1-18(2,3)13-8-4-7-11-16(13)22-12-17(21)20-15-10-6-5-9-14(15)19/h4-11H,12H2,1-3H3,(H,20,21)
InChIKeyYAUBMYKWMKBRQW-UHFFFAOYSA-N
MW409.27 g/mol
LogP4.61
Rot. Bonds4

About 2-(2-tert-butylphenoxy)-N-(2-iodophenyl)acetamide

2-(2-tert-butylphenoxy)-N-(2-iodophenyl)acetamide (PubChem CID 36678366) has the molecular formula C18H20INO2 and a molecular weight of 409.27 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-(2-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-(2-iodophenyl)acetamide
PubChem CID36678366
Molecular FormulaC18H20INO2
Molecular Weight409.27 g/mol
Exact Mass409.05
IUPAC Name2-(2-tert-butylphenoxy)-N-(2-iodophenyl)acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1I
InChIInChI=1S/C18H20INO2/c1-18(2,3)13-8-4-7-11-16(13)22-12-17(21)20-15-10-6-5-9-14(15)19/h4-11H,12H2,1-3H3,(H,20,21)
InChIKeyYAUBMYKWMKBRQW-UHFFFAOYSA-N
XLogP4.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.27
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(2-tert-butylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide
CID 17098053
2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17050635
2-(2-bromophenoxy)-N-(2-tert-butylphenyl)acetamide
CID 31277256
methyl 2-[2-(2-iodoanilino)-2-oxoethoxy]benzoate
CID 7763964
N-(2-iodophenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 7900625
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701075
[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 9309760
2-(2-tert-butylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17050670
N-(2-tert-butylphenyl)-2-(4-fluorophenoxy)acetamide
CID 40597489
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701050
N-(2-aminoethyl)-2-[[2-(2-tert-butylphenoxy)acetyl]amino]benzamide;hydrochloride
CID 120603710
N-(2-iodophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 21212586

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-(2-iodophenyl)acetamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-(2-iodophenyl)acetamide (CID 36678366) is 2-(2-tert-butylphenoxy)-N-(2-iodophenyl)acetamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-(2-iodophenyl)acetamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-(2-iodophenyl)acetamide is CC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1I.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-(2-iodophenyl)acetamide?
The InChIKey is YAUBMYKWMKBRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20INO2/c1-18(2,3)13-8-4-7-11-16(13)22-12-17(21)20-15-10-6-5-9-14(15)19/h4-11H,12H2,1-3H3,(H,20,21).
What are the key properties of 2-(2-tert-butylphenoxy)-N-(2-iodophenyl)acetamide?
2-(2-tert-butylphenoxy)-N-(2-iodophenyl)acetamide has a molecular weight of 409.27 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-(2-iodophenyl)acetamide is sourced from PubChem (CID 36678366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).