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14288-00-7 molecular structure
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N,N'-dibenzyl-N'',N'''-dimethylpropanediamide

ChemBase ID: 229200
Molecular Formular: C19H22N2O2
Molecular Mass: 310.39018
Monoisotopic Mass: 310.16812795
SMILES and InChIs

SMILES:
C(C(=O)N(Cc1ccccc1)C)C(=O)N(Cc1ccccc1)C
Canonical SMILES:
CN(C(=O)CC(=O)N(Cc1ccccc1)C)Cc1ccccc1
InChI:
InChI=1S/C19H22N2O2/c1-20(14-16-9-5-3-6-10-16)18(22)13-19(23)21(2)15-17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3
InChIKey:
XLKJSXXRSQNBJB-UHFFFAOYSA-N

Cite this record

CBID:229200 http://www.chembase.cn/molecule-229200.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N'-dibenzyl-N'',N'''-dimethylpropanediamide
IUPAC Traditional name
N,N'-dibenzyl-N'',N'''-dimethylpropanediamide
Synonyms
N,N'-Dibenzyl-N,N'-dimethyl-malonamide
CAS Number
14288-00-7
MDL Number
MFCD03966848
PubChem SID
164285110
PubChem CID
2392235

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-01467 external link Add to cart Please log in.
Data Source Data ID
PubChem 2392235 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.59745  H Acceptors
H Donor LogD (pH = 5.5) 2.398648 
LogD (pH = 7.4) 2.3986452  Log P 2.398648 
Molar Refractivity 91.4442 cm3 Polarizability 35.22965 Å3
Polar Surface Area 40.62 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.623 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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