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5-[2-(benzylamino)ethyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one

ChemBase ID: 341758
Molecular Formular: C20H29N3O2
Molecular Mass: 343.46316
Monoisotopic Mass: 343.22597718
SMILES and InChIs

SMILES:
N1(C(=O)CCC1CCNCc1ccccc1)CCCN1C(=O)CCC1
Canonical SMILES:
O=C1CCC(N1CCCN1CCCC1=O)CCNCc1ccccc1
InChI:
InChI=1S/C20H29N3O2/c24-19-8-4-13-22(19)14-5-15-23-18(9-10-20(23)25)11-12-21-16-17-6-2-1-3-7-17/h1-3,6-7,18,21H,4-5,8-16H2
InChIKey:
VWURSSLRBPEIOL-UHFFFAOYSA-N

Cite this record

CBID:341758 http://www.chembase.cn/molecule-341758.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-[2-(benzylamino)ethyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one
IUPAC Traditional name
5-[2-(benzylamino)ethyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one
Synonyms
5-[2-(benzylamino)ethyl]-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-pyrrolidinone

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 14064316 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) -2.5391717  LogD (pH = 7.4) -1.5887707 
Log P 0.65636486  Molar Refractivity 99.0782 cm3
Polarizability 38.592796 Å3 Polar Surface Area 52.65 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.63  LOG S -1.23 
Polar Surface Area 52.65 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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