2-[2-(methoxymethyl)phenyl]-N-methyl-2-oxoacetamide

C11H13NO3 — CID 66936211

IUPAC2-[2-(methoxymethyl)phenyl]-N-methyl-2-oxoacetamide
SMILESCNC(=O)C(=O)c1ccccc1COC
InChIInChI=1S/C11H13NO3/c1-12-11(14)10(13)9-6-4-3-5-8(9)7-15-2/h3-6H,7H2,1-2H3,(H,12,14)
InChIKeyYZJJEICLRJWUJQ-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.76
Rot. Bonds4

About 2-[2-(methoxymethyl)phenyl]-N-methyl-2-oxoacetamide

2-[2-(methoxymethyl)phenyl]-N-methyl-2-oxoacetamide (PubChem CID 66936211) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-[2-(methoxymethyl)phenyl]-N-methyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-(methoxymethyl)phenyl]-N-methyl-2-oxoacetamide
PubChem CID66936211
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-[2-(methoxymethyl)phenyl]-N-methyl-2-oxoacetamide
SMILESCNC(=O)C(=O)c1ccccc1COC
InChIInChI=1S/C11H13NO3/c1-12-11(14)10(13)9-6-4-3-5-8(9)7-15-2/h3-6H,7H2,1-2H3,(H,12,14)
InChIKeyYZJJEICLRJWUJQ-UHFFFAOYSA-N
XLogP0.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethyl)phenyl]-N-methyl-2-oxoacetamide?
The IUPAC name of 2-[2-(methoxymethyl)phenyl]-N-methyl-2-oxoacetamide (CID 66936211) is 2-[2-(methoxymethyl)phenyl]-N-methyl-2-oxoacetamide.
What is the SMILES notation for 2-[2-(methoxymethyl)phenyl]-N-methyl-2-oxoacetamide?
The canonical SMILES for 2-[2-(methoxymethyl)phenyl]-N-methyl-2-oxoacetamide is CNC(=O)C(=O)c1ccccc1COC.
What is the InChIKey of 2-[2-(methoxymethyl)phenyl]-N-methyl-2-oxoacetamide?
The InChIKey is YZJJEICLRJWUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-12-11(14)10(13)9-6-4-3-5-8(9)7-15-2/h3-6H,7H2,1-2H3,(H,12,14).
What are the key properties of 2-[2-(methoxymethyl)phenyl]-N-methyl-2-oxoacetamide?
2-[2-(methoxymethyl)phenyl]-N-methyl-2-oxoacetamide has a molecular weight of 207.23 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethyl)phenyl]-N-methyl-2-oxoacetamide is sourced from PubChem (CID 66936211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).