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110506-34-8 molecular structure
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N-(4-amino-2-methoxyphenyl)-2-methoxyacetamide

ChemBase ID: 45406
Molecular Formular: C10H14N2O3
Molecular Mass: 210.22976
Monoisotopic Mass: 210.10044232
SMILES and InChIs

SMILES:
N(c1c(cc(N)cc1)OC)C(=O)COC
Canonical SMILES:
COCC(=O)Nc1ccc(cc1OC)N
InChI:
InChI=1S/C10H14N2O3/c1-14-6-10(13)12-8-4-3-7(11)5-9(8)15-2/h3-5H,6,11H2,1-2H3,(H,12,13)
InChIKey:
DORGJEXJFJCARM-UHFFFAOYSA-N

Cite this record

CBID:45406 http://www.chembase.cn/molecule-45406.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(4-amino-2-methoxyphenyl)-2-methoxyacetamide
IUPAC Traditional name
N-(4-amino-2-methoxyphenyl)-2-methoxyacetamide
Synonyms
N-(4-Amino-2-methoxyphenyl)-2-methoxyacetamide
CAS Number
110506-34-8
MDL Number
MFCD09044538
PubChem SID
162050169
PubChem CID
13839871

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 13839871 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.392604  H Acceptors
H Donor LogD (pH = 5.5) 0.044606812 
LogD (pH = 7.4) 0.050161876  Log P 0.05023742 
Molar Refractivity 58.538 cm3 Polarizability 21.430552 Å3
Polar Surface Area 73.58 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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