2-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide

C15H23NO2 — CID 21368057

IUPAC2-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide
SMILESCc1ccc(OCC(=O)NCCC(C)C)cc1C
InChIInChI=1S/C15H23NO2/c1-11(2)7-8-16-15(17)10-18-14-6-5-12(3)13(4)9-14/h5-6,9,11H,7-8,10H2,1-4H3,(H,16,17)
InChIKeyXJYNJABMBJRGPV-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.84
Rot. Bonds6

About 2-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide

2-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide (PubChem CID 21368057) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide
PubChem CID21368057
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide
SMILESCc1ccc(OCC(=O)NCCC(C)C)cc1C
InChIInChI=1S/C15H23NO2/c1-11(2)7-8-16-15(17)10-18-14-6-5-12(3)13(4)9-14/h5-6,9,11H,7-8,10H2,1-4H3,(H,16,17)
InChIKeyXJYNJABMBJRGPV-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-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233359
5-[[2-(3,4-dimethylphenoxy)acetyl]amino]-2-methylpentanoic acid
CID 104682442
2-(3,5-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 60624673
2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide
CID 60625494
methyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108572647
N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656
N-[2-(dimethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 19165327
2-[3-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 54957411
5-[2-(3-methylbutylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 79795056
2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylacetamide
CID 17404287
N-(3-aminobutyl)-2-(4-chloro-3-methylphenoxy)acetamide;hydrochloride
CID 119497344
2-(3,4-dimethylphenoxy)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide
CID 19174002

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide (CID 21368057) is 2-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide is Cc1ccc(OCC(=O)NCCC(C)C)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide?
The InChIKey is XJYNJABMBJRGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)7-8-16-15(17)10-18-14-6-5-12(3)13(4)9-14/h5-6,9,11H,7-8,10H2,1-4H3,(H,16,17).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide?
2-(3,4-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-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 21368057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).