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3370-35-2 molecular structure
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N-(hydroxymethyl)octadecanamide

ChemBase ID: 287414
Molecular Formular: C19H39NO2
Molecular Mass: 313.51846
Monoisotopic Mass: 313.29807949
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCCCC(=O)NCO
Canonical SMILES:
CCCCCCCCCCCCCCCCCC(=O)NCO
InChI:
InChI=1S/C19H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)20-18-21/h21H,2-18H2,1H3,(H,20,22)
InChIKey:
JHOKTNSTUVKGJC-UHFFFAOYSA-N

Cite this record

CBID:287414 http://www.chembase.cn/molecule-287414.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(hydroxymethyl)octadecanamide
IUPAC Traditional name
N-(hydroxymethyl)octadecanamide
Synonyms
N-(Hydroxymethyl)stearamide
CAS Number
3370-35-2
MDL Number
MFCD08061490
PubChem SID
180672945
PubChem CID
76896

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD144571 Please log in.
Data Source Data ID
PubChem 76896 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.781351  H Acceptors
H Donor LogD (pH = 5.5) 5.9824524 
LogD (pH = 7.4) 5.982451  Log P 5.9824524 
Molar Refractivity 94.1063 cm3 Polarizability 37.558754 Å3
Polar Surface Area 49.33 Å2 Rotatable Bonds 17 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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