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2-[benzyl(methyl)amino]-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide

ChemBase ID: 398972
Molecular Formular: C24H30N2O2
Molecular Mass: 378.5072
Monoisotopic Mass: 378.23072821
SMILES and InChIs

SMILES:
C1(C(=O)NCC2OCCCC2)(N(Cc2ccccc2)C)Cc2c(C1)cccc2
Canonical SMILES:
CN(C1(Cc2c(C1)cccc2)C(=O)NCC1CCCCO1)Cc1ccccc1
InChI:
InChI=1S/C24H30N2O2/c1-26(18-19-9-3-2-4-10-19)24(15-20-11-5-6-12-21(20)16-24)23(27)25-17-22-13-7-8-14-28-22/h2-6,9-12,22H,7-8,13-18H2,1H3,(H,25,27)
InChIKey:
NCJSSTHTVABXTL-UHFFFAOYSA-N

Cite this record

CBID:398972 http://www.chembase.cn/molecule-398972.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[benzyl(methyl)amino]-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide
IUPAC Traditional name
2-[benzyl(methyl)amino]-N-(oxan-2-ylmethyl)-1,3-dihydroindene-2-carboxamide
Synonyms
2-[benzyl(methyl)amino]-N-(tetrahydro-2H-pyran-2-ylmethyl)-2-indanecarboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.518245  H Acceptors
H Donor LogD (pH = 5.5) 1.4046282 
LogD (pH = 7.4) 3.178464  Log P 4.013454 
Molar Refractivity 112.6471 cm3 Polarizability 44.003754 Å3
Polar Surface Area 41.57 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.18  LOG S -3.37 
Polar Surface Area 41.57 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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