2-(3-methoxyphenyl)-2-oxoacetamide

C9H9NO3 — CID 116924501

IUPAC2-(3-methoxyphenyl)-2-oxoacetamide
SMILESCOc1cccc(C(=O)C(N)=O)c1
InChIInChI=1S/C9H9NO3/c1-13-7-4-2-3-6(5-7)8(11)9(10)12/h2-5H,1H3,(H2,10,12)
InChIKeyWUCOUSQUJRIKQM-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.36
Rot. Bonds3

About 2-(3-methoxyphenyl)-2-oxoacetamide

2-(3-methoxyphenyl)-2-oxoacetamide (PubChem CID 116924501) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-2-oxoacetamide
PubChem CID116924501
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name2-(3-methoxyphenyl)-2-oxoacetamide
SMILESCOc1cccc(C(=O)C(N)=O)c1
InChIInChI=1S/C9H9NO3/c1-13-7-4-2-3-6(5-7)8(11)9(10)12/h2-5H,1H3,(H2,10,12)
InChIKeyWUCOUSQUJRIKQM-UHFFFAOYSA-N
XLogP0.36
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.36
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-(3-methoxyphenyl)-2-pyridin-4-ylethane-1,2-dione
CID 18704760
1-(3-methoxyphenyl)-2-naphthalen-2-ylethane-1,2-dione
CID 170457473
2-chloro-1-(3-methoxyphenyl)prop-2-en-1-one
CID 23624440
3-hydroxy-1,3-bis(3-methoxyphenyl)-2-methylprop-2-en-1-one
CID 27818254
2,2-difluoro-1-(3-methoxyphenyl)ethanone
CID 91636166
(Z)-2-amino-3-anilino-1-(3-methoxyphenyl)prop-2-en-1-one
CID 71097759
(1-aminocyclopropyl)-(3-methoxyphenyl)methanone
CID 116576589
2-(3-methoxyphenyl)-2-oxo-N-propan-2-ylacetamide
CID 82114479
methyl 2-[2-(3-methoxyphenyl)-2-oxoacetyl]benzoate
CID 10108693
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
N,N-dihydroxy-3-methoxybenzamide
CID 91426750
1-(3-methoxyphenyl)-2-naphthalen-1-ylethane-1,2-dione
CID 56956967

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-2-oxoacetamide?
The IUPAC name of 2-(3-methoxyphenyl)-2-oxoacetamide (CID 116924501) is 2-(3-methoxyphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-2-oxoacetamide is COc1cccc(C(=O)C(N)=O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-2-oxoacetamide?
The InChIKey is WUCOUSQUJRIKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-13-7-4-2-3-6(5-7)8(11)9(10)12/h2-5H,1H3,(H2,10,12).
What are the key properties of 2-(3-methoxyphenyl)-2-oxoacetamide?
2-(3-methoxyphenyl)-2-oxoacetamide has a molecular weight of 179.17 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-2-oxoacetamide is sourced from PubChem (CID 116924501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).