2-[butan-2-yl(ethyl)amino]-1-(3-methoxyphenyl)ethanone

C15H23NO2 — CID 43795970

IUPAC2-[butan-2-yl(ethyl)amino]-1-(3-methoxyphenyl)ethanone
SMILESCCC(C)N(CC)CC(=O)c1cccc(OC)c1
InChIInChI=1S/C15H23NO2/c1-5-12(3)16(6-2)11-15(17)13-8-7-9-14(10-13)18-4/h7-10,12H,5-6,11H2,1-4H3
InChIKeyMUGLKEUHDPSZSG-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.00
Rot. Bonds7

About 2-[butan-2-yl(ethyl)amino]-1-(3-methoxyphenyl)ethanone

2-[butan-2-yl(ethyl)amino]-1-(3-methoxyphenyl)ethanone (PubChem CID 43795970) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[butan-2-yl(ethyl)amino]-1-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[butan-2-yl(ethyl)amino]-1-(3-methoxyphenyl)ethanone
PubChem CID43795970
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[butan-2-yl(ethyl)amino]-1-(3-methoxyphenyl)ethanone
SMILESCCC(C)N(CC)CC(=O)c1cccc(OC)c1
InChIInChI=1S/C15H23NO2/c1-5-12(3)16(6-2)11-15(17)13-8-7-9-14(10-13)18-4/h7-10,12H,5-6,11H2,1-4H3
InChIKeyMUGLKEUHDPSZSG-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-2-[propan-2-yl(propyl)amino]ethanone
CID 43795420
1-(3-methoxyphenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone
CID 79491164
2-[[2-(3-methoxyphenyl)-2-oxoethyl]-propan-2-ylamino]acetamide
CID 60680137
2-[ethyl(2-ethylbutyl)amino]-1-(3-methoxyphenyl)ethanone
CID 61437442
1-(3-methoxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone
CID 43796154
2-[butan-2-yl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43795984
2-[butan-2-yl-(3-methoxybenzoyl)amino]acetic acid
CID 54925820
2-[ethyl(2-methoxyethyl)amino]-1-(3-methoxyphenyl)ethanone
CID 61446317
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
2-[ethyl(1-methoxypropan-2-yl)amino]-1-(3-fluorophenyl)ethanone
CID 55010646
2-[butan-2-yl(2-methoxyethyl)amino]-1-(3-methylphenyl)ethanone
CID 54999936
2-[[2-(3-methoxyphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 60681718

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(ethyl)amino]-1-(3-methoxyphenyl)ethanone?
The IUPAC name of 2-[butan-2-yl(ethyl)amino]-1-(3-methoxyphenyl)ethanone (CID 43795970) is 2-[butan-2-yl(ethyl)amino]-1-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[butan-2-yl(ethyl)amino]-1-(3-methoxyphenyl)ethanone?
The canonical SMILES for 2-[butan-2-yl(ethyl)amino]-1-(3-methoxyphenyl)ethanone is CCC(C)N(CC)CC(=O)c1cccc(OC)c1.
What is the InChIKey of 2-[butan-2-yl(ethyl)amino]-1-(3-methoxyphenyl)ethanone?
The InChIKey is MUGLKEUHDPSZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-12(3)16(6-2)11-15(17)13-8-7-9-14(10-13)18-4/h7-10,12H,5-6,11H2,1-4H3.
What are the key properties of 2-[butan-2-yl(ethyl)amino]-1-(3-methoxyphenyl)ethanone?
2-[butan-2-yl(ethyl)amino]-1-(3-methoxyphenyl)ethanone has a molecular weight of 249.35 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(ethyl)amino]-1-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 43795970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).