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6622-73-7 molecular structure
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N-[4-(prop-2-en-1-yloxy)phenyl]acetamide

ChemBase ID: 86975
Molecular Formular: C11H13NO2
Molecular Mass: 191.22642
Monoisotopic Mass: 191.09462866
SMILES and InChIs

SMILES:
N(c1ccc(cc1)OCC=C)C(=O)C
Canonical SMILES:
C=CCOc1ccc(cc1)NC(=O)C
InChI:
InChI=1S/C11H13NO2/c1-3-8-14-11-6-4-10(5-7-11)12-9(2)13/h3-7H,1,8H2,2H3,(H,12,13)
InChIKey:
UVGQOPZEALYXKP-UHFFFAOYSA-N

Cite this record

CBID:86975 http://www.chembase.cn/molecule-86975.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[4-(prop-2-en-1-yloxy)phenyl]acetamide
IUPAC Traditional name
acetanilide, 4'-allyloxy-
Synonyms
N1-[4-(allyloxy)phenyl]acetamide
CAS Number
6622-73-7
MDL Number
MFCD00127763
PubChem SID
162074091
PubChem CID
23103

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR30189 external link Add to cart Please log in.
Data Source Data ID
PubChem 23103 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.965318  H Acceptors
H Donor LogD (pH = 5.5) 1.7845347 
LogD (pH = 7.4) 1.7845347  Log P 1.7845347 
Molar Refractivity 56.5469 cm3 Polarizability 21.163326 Å3
Polar Surface Area 38.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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