N-(2,4-dimethoxy-3-methylphenyl)-2-oxoacetamide

C11H13NO4 — CID 115165932

IUPACN-(2,4-dimethoxy-3-methylphenyl)-2-oxoacetamide
SMILESCOc1ccc(NC(=O)C=O)c(OC)c1C
InChIInChI=1S/C11H13NO4/c1-7-9(15-2)5-4-8(11(7)16-3)12-10(14)6-13/h4-6H,1-3H3,(H,12,14)
InChIKeySDQJOGXYDHESHC-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.15
Rot. Bonds4

About N-(2,4-dimethoxy-3-methylphenyl)-2-oxoacetamide

N-(2,4-dimethoxy-3-methylphenyl)-2-oxoacetamide (PubChem CID 115165932) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is N-(2,4-dimethoxy-3-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxy-3-methylphenyl)-2-oxoacetamide
PubChem CID115165932
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC NameN-(2,4-dimethoxy-3-methylphenyl)-2-oxoacetamide
SMILESCOc1ccc(NC(=O)C=O)c(OC)c1C
InChIInChI=1S/C11H13NO4/c1-7-9(15-2)5-4-8(11(7)16-3)12-10(14)6-13/h4-6H,1-3H3,(H,12,14)
InChIKeySDQJOGXYDHESHC-UHFFFAOYSA-N
XLogP1.15
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethoxy-3-methylphenyl)carbamoyl chloride
CID 115194384
N-(2,4-dimethoxy-3-methylphenyl)-2-sulfanylacetamide
CID 115166939
1-(2,4-dimethoxy-3-methylphenyl)-3-phenylurea
CID 110774594
2-(2,4-dimethoxy-3-methylanilino)-2-methylpropanoic acid
CID 115127771
N-(2,4-dimethoxy-3-methylphenyl)cyclopentanecarboxamide
CID 110777847
N-(2,4-dimethoxy-3-methylphenyl)azetidine-3-carboxamide
CID 115158658
N-(5-bromo-2-methoxyphenyl)-2-oxoacetamide
CID 12532225
N-(4-methoxy-2,3-dimethylphenyl)-2-methylpropanamide
CID 110777719
4-(2,4-dimethoxy-3-methylanilino)butanoic acid
CID 115218452
N-[2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropyl]-2-oxoacetamide
CID 115166846
N-(2,4-dimethoxy-3-methylphenyl)pyridine-3-carboxamide
CID 110777868
N-(2,4-dimethoxy-3-methylphenyl)-2-(2-fluorophenyl)acetamide
CID 110777877

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxy-3-methylphenyl)-2-oxoacetamide?
The IUPAC name of N-(2,4-dimethoxy-3-methylphenyl)-2-oxoacetamide (CID 115165932) is N-(2,4-dimethoxy-3-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for N-(2,4-dimethoxy-3-methylphenyl)-2-oxoacetamide?
The canonical SMILES for N-(2,4-dimethoxy-3-methylphenyl)-2-oxoacetamide is COc1ccc(NC(=O)C=O)c(OC)c1C.
What is the InChIKey of N-(2,4-dimethoxy-3-methylphenyl)-2-oxoacetamide?
The InChIKey is SDQJOGXYDHESHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-7-9(15-2)5-4-8(11(7)16-3)12-10(14)6-13/h4-6H,1-3H3,(H,12,14).
What are the key properties of N-(2,4-dimethoxy-3-methylphenyl)-2-oxoacetamide?
N-(2,4-dimethoxy-3-methylphenyl)-2-oxoacetamide has a molecular weight of 223.23 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxy-3-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 115165932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).