2-[[2-(4-methoxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide

C13H18N2O3 — CID 60681059

IUPAC2-[[2-(4-methoxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)CC(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H18N2O3/c1-14-13(17)9-15(2)8-12(16)10-4-6-11(18-3)7-5-10/h4-7H,8-9H2,1-3H3,(H,14,17)
InChIKeyZGDKZUDCNRWXKW-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.56
Rot. Bonds6

About 2-[[2-(4-methoxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide

2-[[2-(4-methoxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide (PubChem CID 60681059) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[[2-(4-methoxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-(4-methoxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
PubChem CID60681059
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[[2-(4-methoxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)CC(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H18N2O3/c1-14-13(17)9-15(2)8-12(16)10-4-6-11(18-3)7-5-10/h4-7H,8-9H2,1-3H3,(H,14,17)
InChIKeyZGDKZUDCNRWXKW-UHFFFAOYSA-N
XLogP0.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-chlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 62051003
3-(4-methoxyphenyl)-N-methyl-3-oxopropanamide
CID 16751964
2-[[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60680952
2-[2-hydroxypropyl(methyl)amino]-1-(4-methoxyphenyl)ethanone
CID 62332829
2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60702318
2-[[2-(3,4-dichlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 62050806
2-[[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60680971
2-[(4-fluorophenyl)methyl-methylamino]-1-(4-methoxyphenyl)ethanone
CID 60650628
1-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]ethanone
CID 60650580
3-(4-methoxyphenyl)-N,N-dimethyl-3-oxopropanamide
CID 165177985
2-[(2-hydroxy-4-methoxyphenyl)methyl-methylamino]-N-methylacetamide
CID 82977637
1-(4-methoxyphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
CID 60650805

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[2-(4-methoxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide (CID 60681059) is 2-[[2-(4-methoxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-(4-methoxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[2-(4-methoxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide is CNC(=O)CN(C)CC(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-[[2-(4-methoxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide?
The InChIKey is ZGDKZUDCNRWXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-14-13(17)9-15(2)8-12(16)10-4-6-11(18-3)7-5-10/h4-7H,8-9H2,1-3H3,(H,14,17).
What are the key properties of 2-[[2-(4-methoxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide?
2-[[2-(4-methoxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide has a molecular weight of 250.30 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide is sourced from PubChem (CID 60681059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).