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4270-37-5 molecular structure
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N,N'-bis(4-ethoxyphenyl)propanediamide

ChemBase ID: 229166
Molecular Formular: C19H22N2O4
Molecular Mass: 342.38898
Monoisotopic Mass: 342.15795719
SMILES and InChIs

SMILES:
C(=O)(CC(=O)Nc1ccc(cc1)OCC)Nc1ccc(cc1)OCC
Canonical SMILES:
CCOc1ccc(cc1)NC(=O)CC(=O)Nc1ccc(cc1)OCC
InChI:
InChI=1S/C19H22N2O4/c1-3-24-16-9-5-14(6-10-16)20-18(22)13-19(23)21-15-7-11-17(12-8-15)25-4-2/h5-12H,3-4,13H2,1-2H3,(H,20,22)(H,21,23)
InChIKey:
IKBROMXSICOKKZ-UHFFFAOYSA-N

Cite this record

CBID:229166 http://www.chembase.cn/molecule-229166.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N'-bis(4-ethoxyphenyl)propanediamide
IUPAC Traditional name
N,N'-bis(4-ethoxyphenyl)propanediamide
Synonyms
N,N'-Bis-(4-ethoxy-phenyl)-malonamide
CAS Number
4270-37-5
MDL Number
MFCD00380578
PubChem SID
164285076
PubChem CID
2305037

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-01426 external link Add to cart Please log in.
Data Source Data ID
PubChem 2305037 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.51407  H Acceptors
H Donor LogD (pH = 5.5) 2.9357598 
LogD (pH = 7.4) 2.9357595  Log P 2.93576 
Molar Refractivity 97.966 cm3 Polarizability 36.563103 Å3
Polar Surface Area 76.66 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
3.274 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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