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N3-ethyl-N1-[2-(2-methoxyethoxy)phenyl]pyrrolidine-1,3-dicarboxamide

ChemBase ID: 340751
Molecular Formular: C17H25N3O4
Molecular Mass: 335.3981
Monoisotopic Mass: 335.1845063
SMILES and InChIs

SMILES:
C(=O)(N1CC(C(=O)NCC)CC1)Nc1c(OCCOC)cccc1
Canonical SMILES:
COCCOc1ccccc1NC(=O)N1CCC(C1)C(=O)NCC
InChI:
InChI=1S/C17H25N3O4/c1-3-18-16(21)13-8-9-20(12-13)17(22)19-14-6-4-5-7-15(14)24-11-10-23-2/h4-7,13H,3,8-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKey:
FENWNSVWEFHWPG-UHFFFAOYSA-N

Cite this record

CBID:340751 http://www.chembase.cn/molecule-340751.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N3-ethyl-N1-[2-(2-methoxyethoxy)phenyl]pyrrolidine-1,3-dicarboxamide
IUPAC Traditional name
N3-ethyl-N1-[2-(2-methoxyethoxy)phenyl]pyrrolidine-1,3-dicarboxamide
Synonyms
N~3~-ethyl-N~1~-[2-(2-methoxyethoxy)phenyl]pyrrolidine-1,3-dicarboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13923087 external link Add to cart
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 11.871212  H Acceptors
H Donor LogD (pH = 5.5) 0.67810667 
LogD (pH = 7.4) 0.6780929  Log P 0.67810684 
Molar Refractivity 91.9922 cm3 Polarizability 34.804756 Å3
Polar Surface Area 79.9 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.16  LOG S -2.82 
Polar Surface Area 79.9 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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