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2-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-5-methoxy-N-methyl-N-[(4-methylphenyl)methyl]benzamide

ChemBase ID: 420051
Molecular Formular: C26H32N2O4
Molecular Mass: 436.54328
Monoisotopic Mass: 436.23620751
SMILES and InChIs

SMILES:
c1(C(=O)N(Cc2ccc(cc2)C)C)c(OC2CCN(C(=O)C3CC3)CC2)ccc(c1)OC
Canonical SMILES:
COc1ccc(c(c1)C(=O)N(Cc1ccc(cc1)C)C)OC1CCN(CC1)C(=O)C1CC1
InChI:
InChI=1S/C26H32N2O4/c1-18-4-6-19(7-5-18)17-27(2)26(30)23-16-22(31-3)10-11-24(23)32-21-12-14-28(15-13-21)25(29)20-8-9-20/h4-7,10-11,16,20-21H,8-9,12-15,17H2,1-3H3
InChIKey:
DXUGFHPMWKFHAO-UHFFFAOYSA-N

Cite this record

CBID:420051 http://www.chembase.cn/molecule-420051.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-5-methoxy-N-methyl-N-[(4-methylphenyl)methyl]benzamide
IUPAC Traditional name
2-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-5-methoxy-N-methyl-N-[(4-methylphenyl)methyl]benzamide
Synonyms
2-{[1-(cyclopropylcarbonyl)-4-piperidinyl]oxy}-5-methoxy-N-methyl-N-(4-methylbenzyl)benzamide

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) 3.2272866  LogD (pH = 7.4) 3.2272868 
Log P 3.2272868  Molar Refractivity 124.6315 cm3
Polarizability 47.719955 Å3 Polar Surface Area 59.08 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.55  LOG S -4.5 
Polar Surface Area 59.08 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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