2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide

C17H26N2O2 — CID 62031117

IUPAC2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)c1ccc(C)cc1C)CC(=O)N(C)C
InChIInChI=1S/C17H26N2O2/c1-6-9-19(12-17(21)18(4)5)11-16(20)15-8-7-13(2)10-14(15)3/h7-8,10H,6,9,11-12H2,1-5H3
InChIKeyJPJANKNCDPATKM-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.29
Rot. Bonds7

About 2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide

2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide (PubChem CID 62031117) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
PubChem CID62031117
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)c1ccc(C)cc1C)CC(=O)N(C)C
InChIInChI=1S/C17H26N2O2/c1-6-9-19(12-17(21)18(4)5)11-16(20)15-8-7-13(2)10-14(15)3/h7-8,10H,6,9,11-12H2,1-5H3
InChIKeyJPJANKNCDPATKM-UHFFFAOYSA-N
XLogP2.29
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)ethanone
CID 43219658
2-[[2-(4-hydroxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
CID 62030928
2-[2-(dimethylamino)ethyl-methylamino]-1-(2,4-dimethylphenyl)ethanone
CID 63701271
2-(dipropylamino)-1-(2,4,5-trimethylphenyl)ethanone
CID 43219591
2-[[2-(4-methoxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
CID 62031315
1-(2,4-dimethylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
CID 63965525
1-(2,4-dimethylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
CID 112661926
1-(2,4-dimethylphenyl)-2-[pentyl(propan-2-yl)amino]ethanone
CID 63565930
2-[[2-(furan-2-yl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
CID 62030551
1-(2,4-dimethylphenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone
CID 107201105
1-(2,4-dimethylphenyl)-2-[methyl(3-methylsulfanylpropyl)amino]ethanone
CID 114237487
N,N-dimethyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-propylamino]acetamide
CID 60542879

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide (CID 62031117) is 2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)c1ccc(C)cc1C)CC(=O)N(C)C.
What is the InChIKey of 2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide?
The InChIKey is JPJANKNCDPATKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-6-9-19(12-17(21)18(4)5)11-16(20)15-8-7-13(2)10-14(15)3/h7-8,10H,6,9,11-12H2,1-5H3.
What are the key properties of 2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide?
2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide has a molecular weight of 290.41 g/mol, XLogP of 2.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 62031117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).