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MFCD00017141 molecular structure
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2-(3,4-dimethoxyphenyl)acetamide

ChemBase ID: 270094
Molecular Formular: C10H13NO3
Molecular Mass: 195.21512
Monoisotopic Mass: 195.08954328
SMILES and InChIs

SMILES:
c1(c(ccc(c1)CC(=O)N)OC)OC
Canonical SMILES:
COc1cc(ccc1OC)CC(=O)N
InChI:
InChI=1S/C10H13NO3/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H2,11,12)
InChIKey:
CUWOZWFDSYIYHL-UHFFFAOYSA-N

Cite this record

CBID:270094 http://www.chembase.cn/molecule-270094.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3,4-dimethoxyphenyl)acetamide
IUPAC Traditional name
3,4-dimethoxyphenylacetamide
Synonyms
2-(3,4-dimethoxyphenyl)acetamide
MDL Number
MFCD00017141
PubChem SID
164326004
PubChem CID
79746

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-68800 external link Add to cart Please log in.
Data Source Data ID
PubChem 79746 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.7665615  H Acceptors
H Donor LogD (pH = 5.5) 0.48870894 
LogD (pH = 7.4) 0.48870897  Log P 0.48870897 
Molar Refractivity 52.1142 cm3 Polarizability 20.26861 Å3
Polar Surface Area 61.55 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.112 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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