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5136-46-9 molecular structure
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N-(2-tetradecanamidoethyl)tetradecanamide

ChemBase ID: 180135
Molecular Formular: C30H60N2O2
Molecular Mass: 480.8096
Monoisotopic Mass: 480.46547917
SMILES and InChIs

SMILES:
C(=O)(NCCNC(=O)CCCCCCCCCCCCC)CCCCCCCCCCCCC
Canonical SMILES:
CCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCC
InChI:
InChI=1S/C30H60N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-29(33)31-27-28-32-30(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3,(H,31,33)(H,32,34)
InChIKey:
SZQRSDJOAHBRSI-UHFFFAOYSA-N

Cite this record

CBID:180135 http://www.chembase.cn/molecule-180135.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-tetradecanamidoethyl)tetradecanamide
IUPAC Traditional name
N-(2-tetradecanamidoethyl)tetradecanamide
Synonyms
N,N'-Ethanediylbis(tetradecanamide)
CAS Number
5136-46-9
PubChem SID
164236045
PubChem CID
78810

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 78810 external link
Chemik CHO0160 external link Add to cart
Data Source Data ID Price
Chemik
CHO0160 external link Add to cart Please log in.
Data Source Data ID
PubChem 78810 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.7675085  H Acceptors
H Donor LogD (pH = 5.5) 9.3968315 
LogD (pH = 7.4) 9.396832  Log P 9.396832 
Molar Refractivity 147.232 cm3 Polarizability 58.427258 Å3
Polar Surface Area 58.2 Å2 Rotatable Bonds 27 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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