2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]-N-methylacetamide

C15H24N2O2 — CID 54930344

IUPAC2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]-N-methylacetamide
SMILESCCC(N)Cc1cc(C)c(OCC(=O)NC)c(C)c1
InChIInChI=1S/C15H24N2O2/c1-5-13(16)8-12-6-10(2)15(11(3)7-12)19-9-14(18)17-4/h6-7,13H,5,8-9,16H2,1-4H3,(H,17,18)
InChIKeyHHUWMOCZXUXJOI-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.71
Rot. Bonds6

About 2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]-N-methylacetamide

2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]-N-methylacetamide (PubChem CID 54930344) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]-N-methylacetamide
PubChem CID54930344
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]-N-methylacetamide
SMILESCCC(N)Cc1cc(C)c(OCC(=O)NC)c(C)c1
InChIInChI=1S/C15H24N2O2/c1-5-13(16)8-12-6-10(2)15(11(3)7-12)19-9-14(18)17-4/h6-7,13H,5,8-9,16H2,1-4H3,(H,17,18)
InChIKeyHHUWMOCZXUXJOI-UHFFFAOYSA-N
XLogP1.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide
CID 60907081
1-(3,5-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890397
1-[4-(2-fluoroethoxy)-3,5-dimethylphenyl]butan-2-amine
CID 80695276
2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide
CID 54930392
2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]acetonitrile
CID 54930389
1-[3,5-dimethyl-4-(2-methylsulfonylethoxy)phenyl]butan-2-amine
CID 60915943
1-(4-but-2-ynoxy-3,5-dimethylphenyl)butan-2-amine
CID 62311991
2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61486985
methyl 2-[4-(2-aminobutyl)-2,6-dibromophenoxy]acetate
CID 107740004
N-methyl-2-(2,3,5,6-tetramethylphenoxy)acetamide
CID 894749
4-[4-(2-aminobutyl)-2,6-dimethylphenoxy]butanenitrile
CID 54930345
N-butan-2-yl-2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]acetamide
CID 43276661

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]-N-methylacetamide?
The IUPAC name of 2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]-N-methylacetamide (CID 54930344) is 2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]-N-methylacetamide?
The canonical SMILES for 2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]-N-methylacetamide is CCC(N)Cc1cc(C)c(OCC(=O)NC)c(C)c1.
What is the InChIKey of 2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]-N-methylacetamide?
The InChIKey is HHUWMOCZXUXJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-13(16)8-12-6-10(2)15(11(3)7-12)19-9-14(18)17-4/h6-7,13H,5,8-9,16H2,1-4H3,(H,17,18).
What are the key properties of 2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]-N-methylacetamide?
2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]-N-methylacetamide has a molecular weight of 264.37 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]-N-methylacetamide is sourced from PubChem (CID 54930344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).