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N-[3-(3,4-dimethylphenoxy)propyl]-N-methyl-6-azaspiro[2.5]octane-1-carboxamide

ChemBase ID: 340365
Molecular Formular: C20H30N2O2
Molecular Mass: 330.4644
Monoisotopic Mass: 330.23072821
SMILES and InChIs

SMILES:
C1(C2(C1)CCNCC2)C(=O)N(CCCOc1cc(c(cc1)C)C)C
Canonical SMILES:
O=C(C1CC21CCNCC2)N(CCCOc1ccc(c(c1)C)C)C
InChI:
InChI=1S/C20H30N2O2/c1-15-5-6-17(13-16(15)2)24-12-4-11-22(3)19(23)18-14-20(18)7-9-21-10-8-20/h5-6,13,18,21H,4,7-12,14H2,1-3H3
InChIKey:
PSBPEMYHUUNIPL-UHFFFAOYSA-N

Cite this record

CBID:340365 http://www.chembase.cn/molecule-340365.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[3-(3,4-dimethylphenoxy)propyl]-N-methyl-6-azaspiro[2.5]octane-1-carboxamide
IUPAC Traditional name
N-[3-(3,4-dimethylphenoxy)propyl]-N-methyl-6-azaspiro[2.5]octane-1-carboxamide
Synonyms
N-[3-(3,4-dimethylphenoxy)propyl]-N-methyl-6-azaspiro[2.5]octane-1-carboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13862636 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) -0.8452655  LogD (pH = 7.4) -0.15934983 
Log P 2.374834  Molar Refractivity 97.4124 cm3
Polarizability 37.911972 Å3 Polar Surface Area 41.57 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.73  LOG S -3.94 
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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