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N-ethyl-N-({1-[2-(2-methylphenyl)ethyl]piperidin-4-yl}methyl)furan-2-carboxamide

ChemBase ID: 341765
Molecular Formular: C22H30N2O2
Molecular Mass: 354.4858
Monoisotopic Mass: 354.23072821
SMILES and InChIs

SMILES:
C(=O)(N(CC1CCN(CCc2c(C)cccc2)CC1)CC)c1occc1
Canonical SMILES:
CCN(C(=O)c1ccco1)CC1CCN(CC1)CCc1ccccc1C
InChI:
InChI=1S/C22H30N2O2/c1-3-24(22(25)21-9-6-16-26-21)17-19-10-13-23(14-11-19)15-12-20-8-5-4-7-18(20)2/h4-9,16,19H,3,10-15,17H2,1-2H3
InChIKey:
UMVSMOBGICBWTA-UHFFFAOYSA-N

Cite this record

CBID:341765 http://www.chembase.cn/molecule-341765.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-ethyl-N-({1-[2-(2-methylphenyl)ethyl]piperidin-4-yl}methyl)furan-2-carboxamide
IUPAC Traditional name
N-ethyl-N-({1-[2-(2-methylphenyl)ethyl]piperidin-4-yl}methyl)furan-2-carboxamide
Synonyms
N-ethyl-N-({1-[2-(2-methylphenyl)ethyl]-4-piperidinyl}methyl)-2-furamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 14065207 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)
H Acceptors H Donor
LogD (pH = 5.5) 0.38258222  LogD (pH = 7.4) 1.8214892 
Log P 3.7022555  Molar Refractivity 106.7472 cm3
Polarizability 40.53002 Å3 Polar Surface Area 36.69 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.37  LOG S -3.78 
Polar Surface Area 36.69 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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