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1347675-92-6 molecular structure
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N-[(3R)-oxan-3-yl]benzamide

ChemBase ID: 799209
Molecular Formular: C12H15NO2
Molecular Mass: 205.253
Monoisotopic Mass: 205.11027873
SMILES and InChIs

SMILES:
c1(ccccc1)C(=O)N[C@H]1COCCC1
Canonical SMILES:
O=C(c1ccccc1)N[C@@H]1CCCOC1
InChI:
InChI=1S/C12H15NO2/c14-12(10-5-2-1-3-6-10)13-11-7-4-8-15-9-11/h1-3,5-6,11H,4,7-9H2,(H,13,14)/t11-/m1/s1
InChIKey:
KSTOAACFCMVXAY-LLVKDONJSA-N

Cite this record

CBID:799209 http://www.chembase.cn/molecule-799209.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(3R)-oxan-3-yl]benzamide
IUPAC Traditional name
N-[(3R)-oxan-3-yl]benzamide
Synonyms
(R)-N-(tetrahydro-2H-pyran-3-yl)benzamide
CAS Number
1347675-92-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O13499 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O13499 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.066326  H Acceptors
H Donor LogD (pH = 5.5) 1.466151 
LogD (pH = 7.4) 1.4661512  Log P 1.4661512 
Molar Refractivity 58.2878 cm3 Polarizability 22.330263 Å3
Polar Surface Area 38.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
96% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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