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N-methyl-2-(1-methyl-1H-pyrrol-2-yl)-N-[2-(oxan-2-yl)ethyl]-2-oxoacetamide

ChemBase ID: 341558
Molecular Formular: C15H22N2O3
Molecular Mass: 278.34678
Monoisotopic Mass: 278.16304257
SMILES and InChIs

SMILES:
C(=O)(c1n(ccc1)C)C(=O)N(CCC1OCCCC1)C
Canonical SMILES:
CN(C(=O)C(=O)c1cccn1C)CCC1CCCCO1
InChI:
InChI=1S/C15H22N2O3/c1-16-9-5-7-13(16)14(18)15(19)17(2)10-8-12-6-3-4-11-20-12/h5,7,9,12H,3-4,6,8,10-11H2,1-2H3
InChIKey:
VNNUSNMEQKPSAG-UHFFFAOYSA-N

Cite this record

CBID:341558 http://www.chembase.cn/molecule-341558.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-methyl-2-(1-methyl-1H-pyrrol-2-yl)-N-[2-(oxan-2-yl)ethyl]-2-oxoacetamide
IUPAC Traditional name
N-methyl-2-(1-methylpyrrol-2-yl)-N-[2-(oxan-2-yl)ethyl]-2-oxoacetamide
Synonyms
N-methyl-2-(1-methyl-1H-pyrrol-2-yl)-2-oxo-N-[2-(tetrahydro-2H-pyran-2-yl)ethyl]acetamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) 1.2775757  LogD (pH = 7.4) 1.2775757 
Log P 1.2775757  Molar Refractivity 77.1254 cm3
Polarizability 29.455425 Å3 Polar Surface Area 51.54 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.15  LOG S -2.67 
Polar Surface Area 51.54 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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