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N-{[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl}-N-(pyridin-3-ylmethyl)pent-4-enamide

ChemBase ID: 340850
Molecular Formular: C24H30N2O4
Molecular Mass: 410.506
Monoisotopic Mass: 410.22055745
SMILES and InChIs

SMILES:
N(C(=O)CCC=C)(Cc1cnccc1)Cc1cc(OCC2COCC2)c(cc1)OC
Canonical SMILES:
C=CCCC(=O)N(Cc1cccnc1)Cc1ccc(c(c1)OCC1COCC1)OC
InChI:
InChI=1S/C24H30N2O4/c1-3-4-7-24(27)26(16-20-6-5-11-25-14-20)15-19-8-9-22(28-2)23(13-19)30-18-21-10-12-29-17-21/h3,5-6,8-9,11,13-14,21H,1,4,7,10,12,15-18H2,2H3
InChIKey:
HGBIANQRUPUNDD-UHFFFAOYSA-N

Cite this record

CBID:340850 http://www.chembase.cn/molecule-340850.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl}-N-(pyridin-3-ylmethyl)pent-4-enamide
IUPAC Traditional name
N-{[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl}-N-(pyridin-3-ylmethyl)pent-4-enamide
Synonyms
N-[4-methoxy-3-(tetrahydro-3-furanylmethoxy)benzyl]-N-(3-pyridinylmethyl)-4-pentenamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13937263 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) 2.5651927  LogD (pH = 7.4) 2.6364458 
Log P 2.6374552  Molar Refractivity 116.7207 cm3
Polarizability 45.240437 Å3 Polar Surface Area 60.89 Å2
Rotatable Bonds 11  Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.62  LOG S -3.3 
Polar Surface Area 60.89 Å2 Rotatable Bonds 10 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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