2-(4-methoxy-3,5-dimethylphenyl)-2-oxoacetamide

C11H13NO3 — CID 116924503

IUPAC2-(4-methoxy-3,5-dimethylphenyl)-2-oxoacetamide
SMILESCOc1c(C)cc(C(=O)C(N)=O)cc1C
InChIInChI=1S/C11H13NO3/c1-6-4-8(9(13)11(12)14)5-7(2)10(6)15-3/h4-5H,1-3H3,(H2,12,14)
InChIKeyHNXHQTIOHBQNGQ-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.98
Rot. Bonds3

About 2-(4-methoxy-3,5-dimethylphenyl)-2-oxoacetamide

2-(4-methoxy-3,5-dimethylphenyl)-2-oxoacetamide (PubChem CID 116924503) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(4-methoxy-3,5-dimethylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-methoxy-3,5-dimethylphenyl)-2-oxoacetamide
PubChem CID116924503
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-(4-methoxy-3,5-dimethylphenyl)-2-oxoacetamide
SMILESCOc1c(C)cc(C(=O)C(N)=O)cc1C
InChIInChI=1S/C11H13NO3/c1-6-4-8(9(13)11(12)14)5-7(2)10(6)15-3/h4-5H,1-3H3,(H2,12,14)
InChIKeyHNXHQTIOHBQNGQ-UHFFFAOYSA-N
XLogP0.98
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.98
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

4-methoxy-3,5-dimethylbenzenecarbothioic S-acid
CID 116918890
2-amino-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 82401990
2-amino-1-(4-methoxy-3,5-dimethylphenyl)-2-methylpropan-1-one
CID 96607143
N'-hydroxy-4-methoxy-3,5-dimethylbenzenecarboximidamide
CID 65470982
(4-methoxy-3,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 83043829
2-(3-bromo-4-methoxy-5-methylphenyl)-2-oxoacetic acid
CID 117434845
1-(4-methoxy-3,5-dimethylphenyl)-1-methylurea
CID 115168292
(3-amino-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83068741
(4-aminocyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 116917563
(3-amino-5-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83068594
(4-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 2756951
1-(4-methoxy-3,5-dimethylphenyl)-3-methylsulfanylpropan-1-one
CID 116830914

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3,5-dimethylphenyl)-2-oxoacetamide?
The IUPAC name of 2-(4-methoxy-3,5-dimethylphenyl)-2-oxoacetamide (CID 116924503) is 2-(4-methoxy-3,5-dimethylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(4-methoxy-3,5-dimethylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(4-methoxy-3,5-dimethylphenyl)-2-oxoacetamide is COc1c(C)cc(C(=O)C(N)=O)cc1C.
What is the InChIKey of 2-(4-methoxy-3,5-dimethylphenyl)-2-oxoacetamide?
The InChIKey is HNXHQTIOHBQNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-6-4-8(9(13)11(12)14)5-7(2)10(6)15-3/h4-5H,1-3H3,(H2,12,14).
What are the key properties of 2-(4-methoxy-3,5-dimethylphenyl)-2-oxoacetamide?
2-(4-methoxy-3,5-dimethylphenyl)-2-oxoacetamide has a molecular weight of 207.23 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3,5-dimethylphenyl)-2-oxoacetamide is sourced from PubChem (CID 116924503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).