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3-(4-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpropanamide

ChemBase ID: 321149
Molecular Formular: C21H23N3O3
Molecular Mass: 365.42562
Monoisotopic Mass: 365.17394161
SMILES and InChIs

SMILES:
c1(nonc1C)CN(C(=O)CC(c1ccc(cc1)OC)c1ccccc1)C
Canonical SMILES:
COc1ccc(cc1)C(c1ccccc1)CC(=O)N(Cc1nonc1C)C
InChI:
InChI=1S/C21H23N3O3/c1-15-20(23-27-22-15)14-24(2)21(25)13-19(16-7-5-4-6-8-16)17-9-11-18(26-3)12-10-17/h4-12,19H,13-14H2,1-3H3
InChIKey:
NETHOAACRWSUDK-UHFFFAOYSA-N

Cite this record

CBID:321149 http://www.chembase.cn/molecule-321149.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(4-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpropanamide
IUPAC Traditional name
3-(4-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpropanamide
Synonyms
3-(4-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpropanamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 2.4852846  LogD (pH = 7.4) 2.4852846 
Log P 2.4852846  Molar Refractivity 103.7415 cm3
Polarizability 39.322002 Å3 Polar Surface Area 68.46 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.66  LOG S -3.37 
Polar Surface Area 68.46 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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