2-(2-tert-butylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide

C21H25NO3 — CID 17098053

IUPAC2-(2-tert-butylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccccc1NC(=O)COc1ccccc1C(C)(C)C
InChIInChI=1S/C21H25NO3/c1-5-14-24-19-13-9-7-11-17(19)22-20(23)15-25-18-12-8-6-10-16(18)21(2,3)4/h5-13H,1,14-15H2,2-4H3,(H,22,23)
InChIKeyYHGWYZCPRYXBRB-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.57
Rot. Bonds7

About 2-(2-tert-butylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide

2-(2-tert-butylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide (PubChem CID 17098053) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide
PubChem CID17098053
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name2-(2-tert-butylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccccc1NC(=O)COc1ccccc1C(C)(C)C
InChIInChI=1S/C21H25NO3/c1-5-14-24-19-13-9-7-11-17(19)22-20(23)15-25-18-12-8-6-10-16(18)21(2,3)4/h5-13H,1,14-15H2,2-4H3,(H,22,23)
InChIKeyYHGWYZCPRYXBRB-UHFFFAOYSA-N
XLogP4.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-tert-butylphenoxy)-N-(2-iodophenyl)acetamide
CID 36678366
1-tert-butyl-2-prop-2-enoxybenzene
CID 637356
2-(tert-butylamino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54813857
2-(4-ethylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide
CID 17097965
2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17050635
2-(2-bromophenoxy)-N-(2-tert-butylphenyl)acetamide
CID 31277256
4-tert-butyl-N-(2-prop-2-enoxyphenyl)benzamide
CID 17097960
2-(2-fluoroanilino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54818330
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701075
2-(2-bromo-4-phenylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide
CID 17098032
2-(4-bromo-2-tert-butylphenoxy)-N-(2-ethoxyphenyl)acetamide
CID 1184481
2-(2-tert-butylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17050670

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide (CID 17098053) is 2-(2-tert-butylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide is C=CCOc1ccccc1NC(=O)COc1ccccc1C(C)(C)C.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide?
The InChIKey is YHGWYZCPRYXBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-5-14-24-19-13-9-7-11-17(19)22-20(23)15-25-18-12-8-6-10-16(18)21(2,3)4/h5-13H,1,14-15H2,2-4H3,(H,22,23).
What are the key properties of 2-(2-tert-butylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide?
2-(2-tert-butylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide has a molecular weight of 339.44 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide is sourced from PubChem (CID 17098053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).