Home > Compound List > Compound details
10378-79-7 molecular structure
click picture or here to close

N,N'-bis(2-methylphenyl)propanediamide

ChemBase ID: 229175
Molecular Formular: C17H18N2O2
Molecular Mass: 282.33702
Monoisotopic Mass: 282.13682783
SMILES and InChIs

SMILES:
C(=O)(CC(=O)Nc1c(C)cccc1)Nc1c(C)cccc1
Canonical SMILES:
O=C(Nc1ccccc1C)CC(=O)Nc1ccccc1C
InChI:
InChI=1S/C17H18N2O2/c1-12-7-3-5-9-14(12)18-16(20)11-17(21)19-15-10-6-4-8-13(15)2/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKey:
GSHUBUJGAXACFN-UHFFFAOYSA-N

Cite this record

CBID:229175 http://www.chembase.cn/molecule-229175.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N'-bis(2-methylphenyl)propanediamide
IUPAC Traditional name
N,N'-bis(2-methylphenyl)propanediamide
Synonyms
N,N'-Di-o-tolyl-malonamide
CAS Number
10378-79-7
MDL Number
MFCD00419234
PubChem SID
164285085
PubChem CID
854344

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-01437 external link Add to cart Please log in.
Data Source Data ID
PubChem 854344 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.413887  H Acceptors
H Donor LogD (pH = 5.5) 3.5643294 
LogD (pH = 7.4) 3.564329  Log P 3.5643294 
Molar Refractivity 85.6248 cm3 Polarizability 31.370203 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)
1.763 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle