1-(2-ethoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone

C16H25NO2 — CID 43796755

IUPAC1-(2-ethoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone
SMILESCCOc1ccccc1C(=O)CN(C)C(C)C(C)C
InChIInChI=1S/C16H25NO2/c1-6-19-16-10-8-7-9-14(16)15(18)11-17(5)13(4)12(2)3/h7-10,12-13H,6,11H2,1-5H3
InChIKeyHRBWPPJHCCQLHL-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.24
Rot. Bonds7

About 1-(2-ethoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone

1-(2-ethoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone (PubChem CID 43796755) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone
PubChem CID43796755
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(2-ethoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone
SMILESCCOc1ccccc1C(=O)CN(C)C(C)C(C)C
InChIInChI=1S/C16H25NO2/c1-6-19-16-10-8-7-9-14(16)15(18)11-17(5)13(4)12(2)3/h7-10,12-13H,6,11H2,1-5H3
InChIKeyHRBWPPJHCCQLHL-UHFFFAOYSA-N
XLogP3.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyphenyl)-2-[methyl(pentyl)amino]ethanone
CID 43796047
2-[[2-(2-ethoxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 62051399
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
1-(2-ethoxyphenyl)-2-methylpropan-1-one
CID 62800406
3-(dimethylamino)-1-(2-ethoxyphenyl)propan-1-one
CID 115345793
2-[1-hydroxypropan-2-yl(methyl)amino]-1-(2-methoxyphenyl)ethanone
CID 104552748
2-(dibutylamino)-1-(2-ethoxyphenyl)ethanone
CID 43794795
3-(2-ethoxyphenyl)-3-oxopropanoic acid
CID 170886850
1-(2-ethoxyphenyl)-2-methoxy-3-methylbutan-1-one
CID 116708332
1-(2-ethoxyphenyl)pentane-1,3-dione
CID 28896176
3-(2-ethoxyphenyl)-3-oxopropanamide
CID 76851157
2-(aminomethyl)-1-(2-ethoxyphenyl)-3-methylbutan-1-one
CID 116573817

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone?
The IUPAC name of 1-(2-ethoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone (CID 43796755) is 1-(2-ethoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone is CCOc1ccccc1C(=O)CN(C)C(C)C(C)C.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone?
The InChIKey is HRBWPPJHCCQLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-6-19-16-10-8-7-9-14(16)15(18)11-17(5)13(4)12(2)3/h7-10,12-13H,6,11H2,1-5H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone?
1-(2-ethoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone has a molecular weight of 263.38 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone is sourced from PubChem (CID 43796755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).