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1-methoxy-8-{[4-(propan-2-yloxy)phenyl]methyl}-1,8-diazaspiro[4.5]decan-2-one

ChemBase ID: 320546
Molecular Formular: C19H28N2O3
Molecular Mass: 332.43722
Monoisotopic Mass: 332.20999277
SMILES and InChIs

SMILES:
N1(C2(CCN(CC2)Cc2ccc(OC(C)C)cc2)CCC1=O)OC
Canonical SMILES:
CON1C(=O)CCC21CCN(CC2)Cc1ccc(cc1)OC(C)C
InChI:
InChI=1S/C19H28N2O3/c1-15(2)24-17-6-4-16(5-7-17)14-20-12-10-19(11-13-20)9-8-18(22)21(19)23-3/h4-7,15H,8-14H2,1-3H3
InChIKey:
SGMVVBWSTIRBAX-UHFFFAOYSA-N

Cite this record

CBID:320546 http://www.chembase.cn/molecule-320546.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methoxy-8-{[4-(propan-2-yloxy)phenyl]methyl}-1,8-diazaspiro[4.5]decan-2-one
IUPAC Traditional name
8-[(4-isopropoxyphenyl)methyl]-1-methoxy-1,8-diazaspiro[4.5]decan-2-one
Synonyms
8-(4-isopropoxybenzyl)-1-methoxy-1,8-diazaspiro[4.5]decan-2-one

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -0.6514796  LogD (pH = 7.4) 1.1189317 
Log P 2.0859294  Molar Refractivity 94.0887 cm3
Polarizability 36.909977 Å3 Polar Surface Area 42.01 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.03  LOG S -3.36 
Polar Surface Area 42.01 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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