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N-[2-ethyl-4-(2,3,4-trimethoxyphenyl)phenyl]acetamide

ChemBase ID: 370115
Molecular Formular: C19H23NO4
Molecular Mass: 329.39022
Monoisotopic Mass: 329.16270822
SMILES and InChIs

SMILES:
c1(c(c(ccc1c1cc(c(NC(=O)C)cc1)CC)OC)OC)OC
Canonical SMILES:
CCc1cc(ccc1NC(=O)C)c1ccc(c(c1OC)OC)OC
InChI:
InChI=1S/C19H23NO4/c1-6-13-11-14(7-9-16(13)20-12(2)21)15-8-10-17(22-3)19(24-5)18(15)23-4/h7-11H,6H2,1-5H3,(H,20,21)
InChIKey:
NEIQEUJGFUUAQK-UHFFFAOYSA-N

Cite this record

CBID:370115 http://www.chembase.cn/molecule-370115.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[2-ethyl-4-(2,3,4-trimethoxyphenyl)phenyl]acetamide
IUPAC Traditional name
N-[2-ethyl-4-(2,3,4-trimethoxyphenyl)phenyl]acetamide
Synonyms
N-(3-ethyl-2',3',4'-trimethoxybiphenyl-4-yl)acetamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 14.300607  H Acceptors
H Donor LogD (pH = 5.5) 3.3431578 
LogD (pH = 7.4) 3.3431578  Log P 3.3431578 
Molar Refractivity 95.089 cm3 Polarizability 37.315636 Å3
Polar Surface Area 56.79 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.95  LOG S -3.27 
Polar Surface Area 56.79 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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