2-(2-tert-butyl-5-methylphenoxy)-N-(2-methylpropyl)acetamide

C17H27NO2 — CID 19165047

IUPAC2-(2-tert-butyl-5-methylphenoxy)-N-(2-methylpropyl)acetamide
SMILESCc1ccc(C(C)(C)C)c(OCC(=O)NCC(C)C)c1
InChIInChI=1S/C17H27NO2/c1-12(2)10-18-16(19)11-20-15-9-13(3)7-8-14(15)17(4,5)6/h7-9,12H,10-11H2,1-6H3,(H,18,19)
InChIKeyIPCVKLXDCNKXEK-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.44
Rot. Bonds5

About 2-(2-tert-butyl-5-methylphenoxy)-N-(2-methylpropyl)acetamide

2-(2-tert-butyl-5-methylphenoxy)-N-(2-methylpropyl)acetamide (PubChem CID 19165047) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(2-tert-butyl-5-methylphenoxy)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-tert-butyl-5-methylphenoxy)-N-(2-methylpropyl)acetamide
PubChem CID19165047
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(2-tert-butyl-5-methylphenoxy)-N-(2-methylpropyl)acetamide
SMILESCc1ccc(C(C)(C)C)c(OCC(=O)NCC(C)C)c1
InChIInChI=1S/C17H27NO2/c1-12(2)10-18-16(19)11-20-15-9-13(3)7-8-14(15)17(4,5)6/h7-9,12H,10-11H2,1-6H3,(H,18,19)
InChIKeyIPCVKLXDCNKXEK-UHFFFAOYSA-N
XLogP3.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-tert-butyl-5-methylphenoxy)-N-methylacetamide
CID 19168129
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)acetamide
CID 18823962
2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 60623551
2-[[2-(2-tert-butyl-5-methylphenoxy)acetyl]amino]propanoic acid
CID 16642061
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(2-methylpropyl)acetamide
CID 78947098
5-methyl-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzoic acid
CID 45304092
2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(2-methylpropyl)acetamide
CID 63365039
2-(2-tert-butyl-5-methylphenoxy)-N-(4-fluorophenyl)acetamide
CID 675188
N-[2-(2-tert-butyl-5-methylphenoxy)ethyl]-2-methylpropan-1-amine
CID 55196770
2-(2,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide
CID 43391088
2-(2-tert-butyl-5-methylphenoxy)-N-(2-chlorophenyl)acetamide
CID 725942
2-(2-tert-butyl-5-methylphenoxy)-N-(2-ethylphenyl)acetamide
CID 19168145

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-5-methylphenoxy)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(2-tert-butyl-5-methylphenoxy)-N-(2-methylpropyl)acetamide (CID 19165047) is 2-(2-tert-butyl-5-methylphenoxy)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(2-tert-butyl-5-methylphenoxy)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(2-tert-butyl-5-methylphenoxy)-N-(2-methylpropyl)acetamide is Cc1ccc(C(C)(C)C)c(OCC(=O)NCC(C)C)c1.
What is the InChIKey of 2-(2-tert-butyl-5-methylphenoxy)-N-(2-methylpropyl)acetamide?
The InChIKey is IPCVKLXDCNKXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(2)10-18-16(19)11-20-15-9-13(3)7-8-14(15)17(4,5)6/h7-9,12H,10-11H2,1-6H3,(H,18,19).
What are the key properties of 2-(2-tert-butyl-5-methylphenoxy)-N-(2-methylpropyl)acetamide?
2-(2-tert-butyl-5-methylphenoxy)-N-(2-methylpropyl)acetamide has a molecular weight of 277.41 g/mol, XLogP of 3.44, 5 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-(2-methylpropyl)acetamide is sourced from PubChem (CID 19165047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).