N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N'-methyloxamide

C13H18N2O3 — CID 115191999

IUPACN'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N'-methyloxamide
SMILESCOc1cc(C)cc(C)c1CN(C)C(=O)C(N)=O
InChIInChI=1S/C13H18N2O3/c1-8-5-9(2)10(11(6-8)18-4)7-15(3)13(17)12(14)16/h5-6H,7H2,1-4H3,(H2,14,16)
InChIKeyUTOXQOCHEYJPMS-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.76
Rot. Bonds3

About N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N'-methyloxamide

N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N'-methyloxamide (PubChem CID 115191999) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N'-methyloxamide.

Molecular Properties

Compound NameN'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N'-methyloxamide
PubChem CID115191999
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N'-methyloxamide
SMILESCOc1cc(C)cc(C)c1CN(C)C(=O)C(N)=O
InChIInChI=1S/C13H18N2O3/c1-8-5-9(2)10(11(6-8)18-4)7-15(3)13(17)12(14)16/h5-6H,7H2,1-4H3,(H2,14,16)
InChIKeyUTOXQOCHEYJPMS-UHFFFAOYSA-N
XLogP0.76
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methoxy-4,6-dimethylphenyl)ethyl-methylamino]acetamide
CID 115260265
methyl N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N-methylcarbamate
CID 115190817
(2-methoxy-4,6-dimethylphenyl)methyl-methylcyanamide
CID 117043386
4-[(2-methoxy-4,6-dimethylphenyl)methyl-methylamino]-3-oxobutanenitrile
CID 117038494
1-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-N-methylpentane-1,4-diamine
CID 115203955
ethyl 3-(2-methoxy-4,6-dimethylphenyl)propanoate
CID 106681194
2-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]-N-methylacetamide
CID 115173226
4-[(2-methoxy-4,6-dimethylphenyl)methyl-methylamino]butanenitrile
CID 115231844
N'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-N'-methyloxamide
CID 115192259
methyl 4-(2-methoxy-4,6-dimethylphenyl)butanoate
CID 98784006
2-(2-methoxy-4,6-dimethylphenyl)ethylcarbamic acid
CID 115171165
2-ethyl-1-methoxy-3,5-dimethylbenzene;propane
CID 170973865

Frequently Asked Questions

What is the IUPAC name of N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N'-methyloxamide?
The IUPAC name of N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N'-methyloxamide (CID 115191999) is N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N'-methyloxamide.
What is the SMILES notation for N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N'-methyloxamide?
The canonical SMILES for N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N'-methyloxamide is COc1cc(C)cc(C)c1CN(C)C(=O)C(N)=O.
What is the InChIKey of N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N'-methyloxamide?
The InChIKey is UTOXQOCHEYJPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-5-9(2)10(11(6-8)18-4)7-15(3)13(17)12(14)16/h5-6H,7H2,1-4H3,(H2,14,16).
What are the key properties of N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N'-methyloxamide?
N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N'-methyloxamide has a molecular weight of 250.30 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N'-methyloxamide is sourced from PubChem (CID 115191999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).