2-[ethyl(propan-2-yl)amino]-1-(4-propan-2-ylphenyl)ethanone

C16H25NO — CID 43795097

IUPAC2-[ethyl(propan-2-yl)amino]-1-(4-propan-2-ylphenyl)ethanone
SMILESCCN(CC(=O)c1ccc(C(C)C)cc1)C(C)C
InChIInChI=1S/C16H25NO/c1-6-17(13(4)5)11-16(18)15-9-7-14(8-10-15)12(2)3/h7-10,12-13H,6,11H2,1-5H3
InChIKeyLVSUTJKMNXFDOX-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.72
Rot. Bonds6

About 2-[ethyl(propan-2-yl)amino]-1-(4-propan-2-ylphenyl)ethanone

2-[ethyl(propan-2-yl)amino]-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 43795097) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[ethyl(propan-2-yl)amino]-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-[ethyl(propan-2-yl)amino]-1-(4-propan-2-ylphenyl)ethanone
PubChem CID43795097
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[ethyl(propan-2-yl)amino]-1-(4-propan-2-ylphenyl)ethanone
SMILESCCN(CC(=O)c1ccc(C(C)C)cc1)C(C)C
InChIInChI=1S/C16H25NO/c1-6-17(13(4)5)11-16(18)15-9-7-14(8-10-15)12(2)3/h7-10,12-13H,6,11H2,1-5H3
InChIKeyLVSUTJKMNXFDOX-UHFFFAOYSA-N
XLogP3.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-hydroxyethyl(propan-2-yl)amino]-1-(4-propan-2-ylphenyl)ethanone
CID 62030140
2-[ethyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanone
CID 43795164
3-[[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-propan-2-ylamino]propanenitrile
CID 62035638
1-(3,4-dihydroxyphenyl)-2-[ethyl(propan-2-yl)amino]ethanone
CID 43795104
1-(3,4-dimethylphenyl)-2-[ethyl(propan-2-yl)amino]ethanone
CID 43795100
2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanone
CID 104552733
1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
2-[(2-amino-2-oxoethyl)-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]amino]acetamide
CID 62923142
2-[3-(dimethylamino)propyl-ethylamino]-1-(4-propan-2-ylphenyl)ethanone
CID 102995078
2-[butan-2-yl(ethyl)amino]-1-(4-fluorophenyl)ethanone
CID 43795952
3-[methyl-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]amino]propanoic acid
CID 82136248
1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione
CID 23512927

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(propan-2-yl)amino]-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-[ethyl(propan-2-yl)amino]-1-(4-propan-2-ylphenyl)ethanone (CID 43795097) is 2-[ethyl(propan-2-yl)amino]-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-[ethyl(propan-2-yl)amino]-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-[ethyl(propan-2-yl)amino]-1-(4-propan-2-ylphenyl)ethanone is CCN(CC(=O)c1ccc(C(C)C)cc1)C(C)C.
What is the InChIKey of 2-[ethyl(propan-2-yl)amino]-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is LVSUTJKMNXFDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-6-17(13(4)5)11-16(18)15-9-7-14(8-10-15)12(2)3/h7-10,12-13H,6,11H2,1-5H3.
What are the key properties of 2-[ethyl(propan-2-yl)amino]-1-(4-propan-2-ylphenyl)ethanone?
2-[ethyl(propan-2-yl)amino]-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 247.38 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(propan-2-yl)amino]-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 43795097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).