3-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide

C15H24N2O2 — CID 60907081

IUPAC3-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide
SMILESCCC(N)Cc1cc(C)c(OCCC(N)=O)c(C)c1
InChIInChI=1S/C15H24N2O2/c1-4-13(16)9-12-7-10(2)15(11(3)8-12)19-6-5-14(17)18/h7-8,13H,4-6,9,16H2,1-3H3,(H2,17,18)
InChIKeyXBHDFAGLRHPYAM-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.84
Rot. Bonds7

About 3-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide

3-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide (PubChem CID 60907081) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide.

Molecular Properties

Compound Name3-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide
PubChem CID60907081
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide
SMILESCCC(N)Cc1cc(C)c(OCCC(N)=O)c(C)c1
InChIInChI=1S/C15H24N2O2/c1-4-13(16)9-12-7-10(2)15(11(3)8-12)19-6-5-14(17)18/h7-8,13H,4-6,9,16H2,1-3H3,(H2,17,18)
InChIKeyXBHDFAGLRHPYAM-UHFFFAOYSA-N
XLogP1.84
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

1-[4-(2-fluoroethoxy)-3,5-dimethylphenyl]butan-2-amine
CID 80695276
1-(3,5-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890397
1-[3,5-dimethyl-4-(2-methylsulfonylethoxy)phenyl]butan-2-amine
CID 60915943
2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]-N-methylacetamide
CID 54930344
2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide
CID 54930392
4-[4-(2-aminobutyl)-2,6-dimethylphenoxy]butanenitrile
CID 54930345
3-[5-(2-aminobutyl)-2-methoxyphenoxy]propanamide
CID 60907156
2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]acetonitrile
CID 54930389
1-(4-but-2-ynoxy-3,5-dimethylphenyl)butan-2-amine
CID 62311991
methyl 4-[4-(2-aminopropyl)-2,6-dimethylphenoxy]butanoate
CID 60908291
3-(2,6-dimethyl-4-sulfamoylphenoxy)propanamide
CID 82913119
3-[2-(2-aminobutyl)phenoxy]propanamide
CID 60907585

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide?
The IUPAC name of 3-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide (CID 60907081) is 3-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide.
What is the SMILES notation for 3-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide?
The canonical SMILES for 3-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide is CCC(N)Cc1cc(C)c(OCCC(N)=O)c(C)c1.
What is the InChIKey of 3-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide?
The InChIKey is XBHDFAGLRHPYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-13(16)9-12-7-10(2)15(11(3)8-12)19-6-5-14(17)18/h7-8,13H,4-6,9,16H2,1-3H3,(H2,17,18).
What are the key properties of 3-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide?
3-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide has a molecular weight of 264.37 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide is sourced from PubChem (CID 60907081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).