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60169-98-4 molecular structure
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N,N'-bis(3-methoxyphenyl)ethanediamide

ChemBase ID: 175956
Molecular Formular: C16H16N2O4
Molecular Mass: 300.30924
Monoisotopic Mass: 300.111007
SMILES and InChIs

SMILES:
c1c(cc(cc1)NC(=O)C(=O)Nc1cccc(c1)OC)OC
Canonical SMILES:
COc1cccc(c1)NC(=O)C(=O)Nc1cccc(c1)OC
InChI:
InChI=1S/C16H16N2O4/c1-21-13-7-3-5-11(9-13)17-15(19)16(20)18-12-6-4-8-14(10-12)22-2/h3-10H,1-2H3,(H,17,19)(H,18,20)
InChIKey:
YNSLSJWLSPXXCN-UHFFFAOYSA-N

Cite this record

CBID:175956 http://www.chembase.cn/molecule-175956.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N'-bis(3-methoxyphenyl)ethanediamide
IUPAC Traditional name
N,N'-bis(3-methoxyphenyl)ethanediamide
Synonyms
N1,N2-Bis(3-methoxyphenyl)ethanediamide
N,N’-Bis(3-methoxyphenyl)ethane-diamide
m-Oxanisidide
CAS Number
60169-98-4
PubChem SID
164231866
PubChem CID
4367251

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC O845055 external link Add to cart
PubChem 4367251 external link
Data Source Data ID Price
TRC
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Data Source Data ID
PubChem 4367251 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.646986  H Acceptors
H Donor LogD (pH = 5.5) 2.2895067 
LogD (pH = 7.4) 2.2892761  Log P 2.2895098 
Molar Refractivity 83.9196 cm3 Polarizability 31.051058 Å3
Polar Surface Area 76.66 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - O845055 external link
The N,N’-Disubstituted dithiooxamides, a new group of potential tuberculostatics.

REFERENCES

REFERENCES

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  • • Waisser, K., et al.: Pharmazie, 43, 655 (1988)
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PATENTS

PATENTS

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INTERNET

INTERNET

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