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67942-22-7 molecular structure
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N,N'-bis(2-phenylethyl)propanediamide

ChemBase ID: 229126
Molecular Formular: C19H22N2O2
Molecular Mass: 310.39018
Monoisotopic Mass: 310.16812795
SMILES and InChIs

SMILES:
C(C(=O)NCCc1ccccc1)C(=O)NCCc1ccccc1
Canonical SMILES:
O=C(CC(=O)NCCc1ccccc1)NCCc1ccccc1
InChI:
InChI=1S/C19H22N2O2/c22-18(20-13-11-16-7-3-1-4-8-16)15-19(23)21-14-12-17-9-5-2-6-10-17/h1-10H,11-15H2,(H,20,22)(H,21,23)
InChIKey:
RUHYVHRJAHLOLR-UHFFFAOYSA-N

Cite this record

CBID:229126 http://www.chembase.cn/molecule-229126.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N'-bis(2-phenylethyl)propanediamide
IUPAC Traditional name
N,N'-bis(2-phenylethyl)propanediamide
Synonyms
N,N'-Diphenethyl-malonamide
CAS Number
67942-22-7
MDL Number
MFCD01060446
PubChem SID
164285036
PubChem CID
2404841

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-01355 external link Add to cart Please log in.
Data Source Data ID
PubChem 2404841 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.724935  H Acceptors
H Donor LogD (pH = 5.5) 2.5286183 
LogD (pH = 7.4) 2.5286162  Log P 2.5286183 
Molar Refractivity 91.1608 cm3 Polarizability 35.233833 Å3
Polar Surface Area 58.2 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.549 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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