2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide

C16H24N2O2 — CID 60681807

IUPAC2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
SMILESCc1ccc(C(=O)CN(C)CC(=O)NC(C)C)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-11(2)17-16(20)10-18(5)9-15(19)14-7-6-12(3)8-13(14)4/h6-8,11H,9-10H2,1-5H3,(H,17,20)
InChIKeyDCUWUUKTXPHEOV-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.94
Rot. Bonds6

About 2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide

2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide (PubChem CID 60681807) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
PubChem CID60681807
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
SMILESCc1ccc(C(=O)CN(C)CC(=O)NC(C)C)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-11(2)17-16(20)10-18(5)9-15(19)14-7-6-12(3)8-13(14)4/h6-8,11H,9-10H2,1-5H3,(H,17,20)
InChIKeyDCUWUUKTXPHEOV-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[2-(2-methylphenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 62035982
2-[methyl-[2-(3-methylphenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 62036179
2-[2-(dimethylamino)ethyl-methylamino]-1-(2,4-dimethylphenyl)ethanone
CID 63701271
2-[[2-(2-methoxyphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 60681671
2-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)ethanone
CID 43219658
2-[[2-(4-chlorophenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 62035213
2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 35820203
1-(2,4-dimethylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
CID 112661926
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(4-methyl-2-pyridinyl)acetamide
CID 51075766
2-[[1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]-methylamino]-N-propan-2-ylacetamide
CID 60681587
2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 51224203
1-(2,4-dimethylphenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone
CID 107201105

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide (CID 60681807) is 2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide is Cc1ccc(C(=O)CN(C)CC(=O)NC(C)C)c(C)c1.
What is the InChIKey of 2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
The InChIKey is DCUWUUKTXPHEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(2)17-16(20)10-18(5)9-15(19)14-7-6-12(3)8-13(14)4/h6-8,11H,9-10H2,1-5H3,(H,17,20).
What are the key properties of 2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide has a molecular weight of 276.38 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 60681807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).