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N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-N-methyl-3-(1,2-oxazinan-2-yl)propanamide

ChemBase ID: 470269
Molecular Formular: C17H24N2O4
Molecular Mass: 320.38346
Monoisotopic Mass: 320.17360726
SMILES and InChIs

SMILES:
C(=O)(CCN1OCCCC1)N(CC1Oc2c(OC1)cccc2)C
Canonical SMILES:
O=C(N(CC1COc2c(O1)cccc2)C)CCN1CCCCO1
InChI:
InChI=1S/C17H24N2O4/c1-18(17(20)8-10-19-9-4-5-11-22-19)12-14-13-21-15-6-2-3-7-16(15)23-14/h2-3,6-7,14H,4-5,8-13H2,1H3
InChIKey:
XXMFXKOGHUZLHY-UHFFFAOYSA-N

Cite this record

CBID:470269 http://www.chembase.cn/molecule-470269.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-N-methyl-3-(1,2-oxazinan-2-yl)propanamide
IUPAC Traditional name
N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-N-methyl-3-(1,2-oxazinan-2-yl)propanamide
Synonyms
N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-N-methyl-3-(1,2-oxazinan-2-yl)propanamide

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)
H Acceptors H Donor
LogD (pH = 5.5) 0.9382878  LogD (pH = 7.4) 0.9390483 
Log P 0.939058  Molar Refractivity 85.5975 cm3
Polarizability 33.926723 Å3 Polar Surface Area 51.24 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.79  LOG S -3.92 
Polar Surface Area 51.24 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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