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50375-15-0 molecular structure
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N-[4-(2-hydroxyethoxy)phenyl]acetamide

ChemBase ID: 51227
Molecular Formular: C10H13NO3
Molecular Mass: 195.21512
Monoisotopic Mass: 195.08954328
SMILES and InChIs

SMILES:
C(=O)(Nc1ccc(cc1)OCCO)C
Canonical SMILES:
OCCOc1ccc(cc1)NC(=O)C
InChI:
InChI=1S/C10H13NO3/c1-8(13)11-9-2-4-10(5-3-9)14-7-6-12/h2-5,12H,6-7H2,1H3,(H,11,13)
InChIKey:
PVKHXJDOHVTKKC-UHFFFAOYSA-N

Cite this record

CBID:51227 http://www.chembase.cn/molecule-51227.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[4-(2-hydroxyethoxy)phenyl]acetamide
IUPAC Traditional name
N-[4-(2-hydroxyethoxy)phenyl]acetamide
Synonyms
N-[4-(Hydroxyethoxy)phenyl]ethanamide
CAS Number
50375-15-0
MDL Number
MFCD00020595
PubChem SID
162055990
PubChem CID
170834

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 170834 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 14.730217  H Acceptors
H Donor LogD (pH = 5.5) 0.3631829 
LogD (pH = 7.4) 0.36318287  Log P 0.3631829 
Molar Refractivity 53.6765 cm3 Polarizability 20.202646 Å3
Polar Surface Area 58.56 Å2

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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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