2-(3,5-dimethylphenoxy)-N-(3-methylbutyl)acetamide

C15H23NO2 — CID 60624673

IUPAC2-(3,5-dimethylphenoxy)-N-(3-methylbutyl)acetamide
SMILESCc1cc(C)cc(OCC(=O)NCCC(C)C)c1
InChIInChI=1S/C15H23NO2/c1-11(2)5-6-16-15(17)10-18-14-8-12(3)7-13(4)9-14/h7-9,11H,5-6,10H2,1-4H3,(H,16,17)
InChIKeyRAENHISQOHZOOZ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.84
Rot. Bonds6

About 2-(3,5-dimethylphenoxy)-N-(3-methylbutyl)acetamide

2-(3,5-dimethylphenoxy)-N-(3-methylbutyl)acetamide (PubChem CID 60624673) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-(3-methylbutyl)acetamide
PubChem CID60624673
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(3,5-dimethylphenoxy)-N-(3-methylbutyl)acetamide
SMILESCc1cc(C)cc(OCC(=O)NCCC(C)C)c1
InChIInChI=1S/C15H23NO2/c1-11(2)5-6-16-15(17)10-18-14-8-12(3)7-13(4)9-14/h7-9,11H,5-6,10H2,1-4H3,(H,16,17)
InChIKeyRAENHISQOHZOOZ-UHFFFAOYSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 21368057
2-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide
CID 43391085
N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656
2-(3,5-dimethylphenoxy)-N-(6-hydroxyhexyl)acetamide
CID 103919351
2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide
CID 60625494
2-(3,5-dimethylphenoxy)-N-[(E)-pent-3-enyl]acetamide
CID 115628333
2-(4-formyl-2,6-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 60627472
N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide
CID 19173987
N-(2-tert-butylsulfanylethyl)-2-(3,5-dimethylphenoxy)acetamide
CID 21367691
2-[3-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 54957411
2-(3-carbamothioyl-5-methoxyphenoxy)-N-(3-methylbutyl)acetamide
CID 103567236
N-(3,3-difluoro-2-hydroxypropyl)-2-(3,5-dimethylphenoxy)acetamide
CID 103770426

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-(3-methylbutyl)acetamide (CID 60624673) is 2-(3,5-dimethylphenoxy)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-(3-methylbutyl)acetamide is Cc1cc(C)cc(OCC(=O)NCCC(C)C)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-(3-methylbutyl)acetamide?
The InChIKey is RAENHISQOHZOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)5-6-16-15(17)10-18-14-8-12(3)7-13(4)9-14/h7-9,11H,5-6,10H2,1-4H3,(H,16,17).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-(3-methylbutyl)acetamide?
2-(3,5-dimethylphenoxy)-N-(3-methylbutyl)acetamide has a molecular weight of 249.35 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 60624673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).