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N-{[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl}-N-(oxolan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide

ChemBase ID: 340549
Molecular Formular: C29H32N2O6
Molecular Mass: 504.57418
Monoisotopic Mass: 504.22603675
SMILES and InChIs

SMILES:
N(C(=O)c1ccc(N2C(=O)CCC2)cc1)(Cc1cc(OCc2occc2)c(cc1)OC)CC1OCCC1
Canonical SMILES:
COc1ccc(cc1OCc1ccco1)CN(C(=O)c1ccc(cc1)N1CCCC1=O)CC1CCCO1
InChI:
InChI=1S/C29H32N2O6/c1-34-26-13-8-21(17-27(26)37-20-25-6-4-16-36-25)18-30(19-24-5-3-15-35-24)29(33)22-9-11-23(12-10-22)31-14-2-7-28(31)32/h4,6,8-13,16-17,24H,2-3,5,7,14-15,18-20H2,1H3
InChIKey:
MZEZAKCIAHSZDT-UHFFFAOYSA-N

Cite this record

CBID:340549 http://www.chembase.cn/molecule-340549.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl}-N-(oxolan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
IUPAC Traditional name
N-{[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl}-N-(oxolan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
Synonyms
N-[3-(2-furylmethoxy)-4-methoxybenzyl]-4-(2-oxo-1-pyrrolidinyl)-N-(tetrahydro-2-furanylmethyl)benzamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13892126 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) 3.212457  LogD (pH = 7.4) 3.212457 
Log P 3.212457  Molar Refractivity 138.6012 cm3
Polarizability 53.10951 Å3 Polar Surface Area 81.45 Å2
Rotatable Bonds 10  Lipinski's Rule of Five false 
H Acceptors H Donor
Log P 4.34  LOG S -4.95 
Polar Surface Area 81.45 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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