2-(2-tert-butyl-5-methylphenoxy)-N-methylacetamide

C14H21NO2 — CID 19168129

IUPAC2-(2-tert-butyl-5-methylphenoxy)-N-methylacetamide
SMILESCNC(=O)COc1cc(C)ccc1C(C)(C)C
InChIInChI=1S/C14H21NO2/c1-10-6-7-11(14(2,3)4)12(8-10)17-9-13(16)15-5/h6-8H,9H2,1-5H3,(H,15,16)
InChIKeyZNVUHPZJHJEJNJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.42
Rot. Bonds3

About 2-(2-tert-butyl-5-methylphenoxy)-N-methylacetamide

2-(2-tert-butyl-5-methylphenoxy)-N-methylacetamide (PubChem CID 19168129) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(2-tert-butyl-5-methylphenoxy)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-tert-butyl-5-methylphenoxy)-N-methylacetamide
PubChem CID19168129
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(2-tert-butyl-5-methylphenoxy)-N-methylacetamide
SMILESCNC(=O)COc1cc(C)ccc1C(C)(C)C
InChIInChI=1S/C14H21NO2/c1-10-6-7-11(14(2,3)4)12(8-10)17-9-13(16)15-5/h6-8H,9H2,1-5H3,(H,15,16)
InChIKeyZNVUHPZJHJEJNJ-UHFFFAOYSA-N
XLogP2.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2-tert-butyl-5-methylphenoxy)acetyl]amino]propanoic acid
CID 16642061
2-(2-tert-butyl-5-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 19165047
2-(2-tert-butyl-5-methylphenoxy)-N-(4-fluorophenyl)acetamide
CID 675188
2-(2-tert-butyl-5-methylphenoxy)-N-(2-chlorophenyl)acetamide
CID 725942
2-(2-tert-butyl-5-methylphenoxy)-N-(2-ethylphenyl)acetamide
CID 19168145
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410
2-(2-tert-butyl-5-methylphenoxy)-1-phenylethanone
CID 43426881
2-[[2-(2-tert-butyl-5-methylphenoxy)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 16642134
2-(2-tert-butyl-5-methylphenoxy)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide
CID 137095239
4-(2-tert-butyl-5-methylphenoxy)-2-(methylamino)butanoic acid
CID 63039632
2-(2-tert-butyl-5-methylphenoxy)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide
CID 19165103
4-(2-tert-butyl-5-methylphenoxy)-2-(methylamino)butan-1-ol
CID 64811237

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-5-methylphenoxy)-N-methylacetamide?
The IUPAC name of 2-(2-tert-butyl-5-methylphenoxy)-N-methylacetamide (CID 19168129) is 2-(2-tert-butyl-5-methylphenoxy)-N-methylacetamide.
What is the SMILES notation for 2-(2-tert-butyl-5-methylphenoxy)-N-methylacetamide?
The canonical SMILES for 2-(2-tert-butyl-5-methylphenoxy)-N-methylacetamide is CNC(=O)COc1cc(C)ccc1C(C)(C)C.
What is the InChIKey of 2-(2-tert-butyl-5-methylphenoxy)-N-methylacetamide?
The InChIKey is ZNVUHPZJHJEJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-6-7-11(14(2,3)4)12(8-10)17-9-13(16)15-5/h6-8H,9H2,1-5H3,(H,15,16).
What are the key properties of 2-(2-tert-butyl-5-methylphenoxy)-N-methylacetamide?
2-(2-tert-butyl-5-methylphenoxy)-N-methylacetamide has a molecular weight of 235.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-5-methylphenoxy)-N-methylacetamide is sourced from PubChem (CID 19168129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).