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N-ethyl-2-hydroxy-5-methoxy-N-[2-(3-methoxyphenoxy)ethyl]benzamide

ChemBase ID: 470431
Molecular Formular: C19H23NO5
Molecular Mass: 345.38962
Monoisotopic Mass: 345.15762284
SMILES and InChIs

SMILES:
c1(C(=O)N(CCOc2cc(OC)ccc2)CC)c(ccc(c1)OC)O
Canonical SMILES:
COc1cccc(c1)OCCN(C(=O)c1cc(OC)ccc1O)CC
InChI:
InChI=1S/C19H23NO5/c1-4-20(10-11-25-16-7-5-6-14(12-16)23-2)19(22)17-13-15(24-3)8-9-18(17)21/h5-9,12-13,21H,4,10-11H2,1-3H3
InChIKey:
RPVGFLUFQOJUMX-UHFFFAOYSA-N

Cite this record

CBID:470431 http://www.chembase.cn/molecule-470431.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-ethyl-2-hydroxy-5-methoxy-N-[2-(3-methoxyphenoxy)ethyl]benzamide
IUPAC Traditional name
N-ethyl-2-hydroxy-5-methoxy-N-[2-(3-methoxyphenoxy)ethyl]benzamide
Synonyms
N-ethyl-2-hydroxy-5-methoxy-N-[2-(3-methoxyphenoxy)ethyl]benzamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 33954001 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 8.605063  H Acceptors
H Donor LogD (pH = 5.5) 3.3028493 
LogD (pH = 7.4) 3.2770958  Log P 3.3031878 
Molar Refractivity 95.1379 cm3 Polarizability 36.45275 Å3
Polar Surface Area 68.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.43  LOG S -4.07 
Polar Surface Area 68.23 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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