N-methyl-2-[methyl-[2-(3-methylphenyl)-2-oxoethyl]amino]acetamide

C13H18N2O2 — CID 62051984

IUPACN-methyl-2-[methyl-[2-(3-methylphenyl)-2-oxoethyl]amino]acetamide
SMILESCNC(=O)CN(C)CC(=O)c1cccc(C)c1
InChIInChI=1S/C13H18N2O2/c1-10-5-4-6-11(7-10)12(16)8-15(3)9-13(17)14-2/h4-7H,8-9H2,1-3H3,(H,14,17)
InChIKeyXJTKPPUTUHPZLF-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.86
Rot. Bonds5

About N-methyl-2-[methyl-[2-(3-methylphenyl)-2-oxoethyl]amino]acetamide

N-methyl-2-[methyl-[2-(3-methylphenyl)-2-oxoethyl]amino]acetamide (PubChem CID 62051984) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-methyl-2-[methyl-[2-(3-methylphenyl)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[methyl-[2-(3-methylphenyl)-2-oxoethyl]amino]acetamide
PubChem CID62051984
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-methyl-2-[methyl-[2-(3-methylphenyl)-2-oxoethyl]amino]acetamide
SMILESCNC(=O)CN(C)CC(=O)c1cccc(C)c1
InChIInChI=1S/C13H18N2O2/c1-10-5-4-6-11(7-10)12(16)8-15(3)9-13(17)14-2/h4-7H,8-9H2,1-3H3,(H,14,17)
InChIKeyXJTKPPUTUHPZLF-UHFFFAOYSA-N
XLogP0.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[2-(3-methylphenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 62036179
2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60702318
2-[[2-(3,4-dichlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 62050806
1-(3-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
CID 60892938
2-[[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60680971
2-[(4-fluorophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
CID 62029617
2-[[2-(4-chlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 62051003
2-[(3-bromophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
CID 62035559
2-[[2-(4-methoxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60681059
2-[[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60680952
N-methyl-2-[methyl-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]amino]acetamide
CID 60680858
3-(methylamino)-1-(3-methylphenyl)propan-1-one
CID 83695895

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[methyl-[2-(3-methylphenyl)-2-oxoethyl]amino]acetamide?
The IUPAC name of N-methyl-2-[methyl-[2-(3-methylphenyl)-2-oxoethyl]amino]acetamide (CID 62051984) is N-methyl-2-[methyl-[2-(3-methylphenyl)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-methyl-2-[methyl-[2-(3-methylphenyl)-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-methyl-2-[methyl-[2-(3-methylphenyl)-2-oxoethyl]amino]acetamide is CNC(=O)CN(C)CC(=O)c1cccc(C)c1.
What is the InChIKey of N-methyl-2-[methyl-[2-(3-methylphenyl)-2-oxoethyl]amino]acetamide?
The InChIKey is XJTKPPUTUHPZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-5-4-6-11(7-10)12(16)8-15(3)9-13(17)14-2/h4-7H,8-9H2,1-3H3,(H,14,17).
What are the key properties of N-methyl-2-[methyl-[2-(3-methylphenyl)-2-oxoethyl]amino]acetamide?
N-methyl-2-[methyl-[2-(3-methylphenyl)-2-oxoethyl]amino]acetamide has a molecular weight of 234.30 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[methyl-[2-(3-methylphenyl)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 62051984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).