1-(3-methoxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone

C15H23NO2 — CID 43796154

IUPAC1-(3-methoxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone
SMILESCCC(C)CN(C)CC(=O)c1cccc(OC)c1
InChIInChI=1S/C15H23NO2/c1-5-12(2)10-16(3)11-15(17)13-7-6-8-14(9-13)18-4/h6-9,12H,5,10-11H2,1-4H3
InChIKeyNTKYMJSPJHHICA-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.86
Rot. Bonds7

About 1-(3-methoxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone

1-(3-methoxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone (PubChem CID 43796154) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone
PubChem CID43796154
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(3-methoxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone
SMILESCCC(C)CN(C)CC(=O)c1cccc(OC)c1
InChIInChI=1S/C15H23NO2/c1-5-12(2)10-16(3)11-15(17)13-7-6-8-14(9-13)18-4/h6-9,12H,5,10-11H2,1-4H3
InChIKeyNTKYMJSPJHHICA-UHFFFAOYSA-N
XLogP2.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-2-[methyl(2-methylbutyl)amino]ethanone
CID 43796175
3-[[2-(3-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
CID 106916558
1-(3-methoxyphenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone
CID 79491164
2-[butan-2-yl(ethyl)amino]-1-(3-methoxyphenyl)ethanone
CID 43795970
2-[[2-(3-methoxyphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 60681718
2-[ethyl(2-ethylbutyl)amino]-1-(3-methoxyphenyl)ethanone
CID 61437442
1-(3-methoxyphenyl)-2-[propan-2-yl(propyl)amino]ethanone
CID 43795420
1-(3-methoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79849561
1-(4-hydroxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone
CID 43796166
2-[[2-(3-methoxyphenyl)-2-oxoethyl]-propan-2-ylamino]acetamide
CID 60680137
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
1-(3-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207254

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone?
The IUPAC name of 1-(3-methoxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone (CID 43796154) is 1-(3-methoxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone is CCC(C)CN(C)CC(=O)c1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone?
The InChIKey is NTKYMJSPJHHICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-12(2)10-16(3)11-15(17)13-7-6-8-14(9-13)18-4/h6-9,12H,5,10-11H2,1-4H3.
What are the key properties of 1-(3-methoxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone?
1-(3-methoxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone has a molecular weight of 249.35 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone is sourced from PubChem (CID 43796154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).