N'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-N'-methyloxamide

C14H20N2O3 — CID 115192259

IUPACN'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-N'-methyloxamide
SMILESCOc1c(C)cc(CCN(C)C(=O)C(N)=O)cc1C
InChIInChI=1S/C14H20N2O3/c1-9-7-11(8-10(2)12(9)19-4)5-6-16(3)14(18)13(15)17/h7-8H,5-6H2,1-4H3,(H2,15,17)
InChIKeyOGKORLGRYHHKCU-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.80
Rot. Bonds4

About N'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-N'-methyloxamide

N'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-N'-methyloxamide (PubChem CID 115192259) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-N'-methyloxamide.

Molecular Properties

Compound NameN'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-N'-methyloxamide
PubChem CID115192259
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-N'-methyloxamide
SMILESCOc1c(C)cc(CCN(C)C(=O)C(N)=O)cc1C
InChIInChI=1S/C14H20N2O3/c1-9-7-11(8-10(2)12(9)19-4)5-6-16(3)14(18)13(15)17/h7-8H,5-6H2,1-4H3,(H2,15,17)
InChIKeyOGKORLGRYHHKCU-UHFFFAOYSA-N
XLogP0.80
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.80
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

1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-1,3-dimethylurea
CID 115169536
2-(4-methoxy-3,5-dimethylphenyl)ethylurea
CID 115168574
2-(4-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide
CID 116844882
3-amino-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea
CID 115192837
2-amino-3-[2-(4-methoxy-3,5-dimethylphenyl)ethyl-methylamino]propan-1-ol
CID 115120992
(2R)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]propanamide
CID 94817225
N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N'-methyloxamide
CID 115191999
2-(4-methoxy-2,3,5-trimethylphenyl)ethyl-methylcarbamic acid
CID 115171275
N'-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]oxamide
CID 115192179
N-(2-aminoethyl)-2-(4-methoxy-3,5-dimethylphenyl)acetamide
CID 110832932
N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N-methylcarbamoyl bromide
CID 115194099
N'-[2-(5-bromo-2-methylphenyl)ethyl]-N'-methyloxamide
CID 115192249

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-N'-methyloxamide?
The IUPAC name of N'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-N'-methyloxamide (CID 115192259) is N'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-N'-methyloxamide.
What is the SMILES notation for N'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-N'-methyloxamide?
The canonical SMILES for N'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-N'-methyloxamide is COc1c(C)cc(CCN(C)C(=O)C(N)=O)cc1C.
What is the InChIKey of N'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-N'-methyloxamide?
The InChIKey is OGKORLGRYHHKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-7-11(8-10(2)12(9)19-4)5-6-16(3)14(18)13(15)17/h7-8H,5-6H2,1-4H3,(H2,15,17).
What are the key properties of N'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-N'-methyloxamide?
N'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-N'-methyloxamide has a molecular weight of 264.32 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-N'-methyloxamide is sourced from PubChem (CID 115192259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).