2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide

C15H24N2O2 — CID 54930392

IUPAC2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide
SMILESCCC(N)Cc1cc(C)c(OC(C)C(N)=O)c(C)c1
InChIInChI=1S/C15H24N2O2/c1-5-13(16)8-12-6-9(2)14(10(3)7-12)19-11(4)15(17)18/h6-7,11,13H,5,8,16H2,1-4H3,(H2,17,18)
InChIKeyHEAHOTDFACDYJP-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.84
Rot. Bonds6

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

2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide (PubChem CID 54930392) 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]propanamide.

Molecular Properties

Compound Name2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide
PubChem CID54930392
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide
SMILESCCC(N)Cc1cc(C)c(OC(C)C(N)=O)c(C)c1
InChIInChI=1S/C15H24N2O2/c1-5-13(16)8-12-6-9(2)14(10(3)7-12)19-11(4)15(17)18/h6-7,11,13H,5,8,16H2,1-4H3,(H2,17,18)
InChIKeyHEAHOTDFACDYJP-UHFFFAOYSA-N
XLogP1.84
TPSA78.34 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 ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide
CID 60907081
(2S)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 40771290
1-(3,5-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890397
2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]-N-methylacetamide
CID 54930344
2-[2-(2-aminobutyl)-6-chlorophenoxy]propanamide
CID 112615776
2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N-methylpropanamide
CID 115962935
1-[4-(2-fluoroethoxy)-3,5-dimethylphenyl]butan-2-amine
CID 80695276
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-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-ethylpropanamide
CID 43122441
4-[4-(2-aminobutyl)-2,6-dimethylphenoxy]butanenitrile
CID 54930345

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide?
The IUPAC name of 2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide (CID 54930392) is 2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide.
What is the SMILES notation for 2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide?
The canonical SMILES for 2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide is CCC(N)Cc1cc(C)c(OC(C)C(N)=O)c(C)c1.
What is the InChIKey of 2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide?
The InChIKey is HEAHOTDFACDYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-13(16)8-12-6-9(2)14(10(3)7-12)19-11(4)15(17)18/h6-7,11,13H,5,8,16H2,1-4H3,(H2,17,18).
What are the key properties of 2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide?
2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide has a molecular weight of 264.37 g/mol, XLogP of 1.84, 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]propanamide is sourced from PubChem (CID 54930392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).