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N-(3-chloro-4-methylphenyl)-3-(4-ethoxypiperidin-1-yl)propanamide

ChemBase ID: 340233
Molecular Formular: C17H25ClN2O2
Molecular Mass: 324.8456
Monoisotopic Mass: 324.16045573
SMILES and InChIs

SMILES:
C(=O)(CCN1CCC(CC1)OCC)Nc1cc(c(cc1)C)Cl
Canonical SMILES:
CCOC1CCN(CC1)CCC(=O)Nc1ccc(c(c1)Cl)C
InChI:
InChI=1S/C17H25ClN2O2/c1-3-22-15-6-9-20(10-7-15)11-8-17(21)19-14-5-4-13(2)16(18)12-14/h4-5,12,15H,3,6-11H2,1-2H3,(H,19,21)
InChIKey:
OVPUQGQOMZCXJC-UHFFFAOYSA-N

Cite this record

CBID:340233 http://www.chembase.cn/molecule-340233.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(3-chloro-4-methylphenyl)-3-(4-ethoxypiperidin-1-yl)propanamide
IUPAC Traditional name
N-(3-chloro-4-methylphenyl)-3-(4-ethoxypiperidin-1-yl)propanamide
Synonyms
N-(3-chloro-4-methylphenyl)-3-(4-ethoxypiperidin-1-yl)propanamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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 14.175927  H Acceptors
H Donor LogD (pH = 5.5) -0.41504696 
LogD (pH = 7.4) 1.1882695  Log P 2.7749276 
Molar Refractivity 92.1195 cm3 Polarizability 35.06185 Å3
Polar Surface Area 41.57 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.06  LOG S -4.18 
Polar Surface Area 41.57 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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