2-(2-tert-butylphenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide

C21H27NO5 — CID 24536655

IUPAC2-(2-tert-butylphenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)COc2ccccc2C(C)(C)C)cc(OC)c1OC
InChIInChI=1S/C21H27NO5/c1-21(2,3)15-9-7-8-10-16(15)27-13-19(23)22-14-11-17(24-4)20(26-6)18(12-14)25-5/h7-12H,13H2,1-6H3,(H,22,23)
InChIKeyASJVYXMCVHQBHK-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.03
Rot. Bonds7

About 2-(2-tert-butylphenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide

2-(2-tert-butylphenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 24536655) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID24536655
Molecular FormulaC21H27NO5
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC Name2-(2-tert-butylphenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)COc2ccccc2C(C)(C)C)cc(OC)c1OC
InChIInChI=1S/C21H27NO5/c1-21(2,3)15-9-7-8-10-16(15)27-13-19(23)22-14-11-17(24-4)20(26-6)18(12-14)25-5/h7-12H,13H2,1-6H3,(H,22,23)
InChIKeyASJVYXMCVHQBHK-UHFFFAOYSA-N
XLogP4.03
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-tert-butylphenoxy)-N-(4-methoxy-3-sulfamoylphenyl)acetamide
CID 26782054
N-[3-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 17189278
N-(2-tert-butylphenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109037292
3-[[2-(2-tert-butylphenoxy)acetyl]amino]benzoate
CID 5123909
2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 24536657
4-tert-butyl-N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235093
2-(2-tert-butylphenoxy)-N-(6-chloro-3-pyridinyl)acetamide
CID 54787974
4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 17050893
N-(6-amino-3-pyridinyl)-2-(2-tert-butylphenoxy)acetamide;hydrochloride
CID 119515831
2-[3-[[2-(2-tert-butylphenoxy)acetyl]amino]phenoxy]-N-ethylacetamide
CID 34870464
5-[[2-(2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid
CID 880340
4-methyl-4-phenyl-N-(3,4,5-trimethoxyphenyl)pentanamide
CID 110356184

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide (CID 24536655) is 2-(2-tert-butylphenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)COc2ccccc2C(C)(C)C)cc(OC)c1OC.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is ASJVYXMCVHQBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO5/c1-21(2,3)15-9-7-8-10-16(15)27-13-19(23)22-14-11-17(24-4)20(26-6)18(12-14)25-5/h7-12H,13H2,1-6H3,(H,22,23).
What are the key properties of 2-(2-tert-butylphenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide?
2-(2-tert-butylphenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 373.45 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 24536655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).