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3-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-(pyridin-3-yl)propanamide

ChemBase ID: 323757
Molecular Formular: C21H32N4O3
Molecular Mass: 388.50378
Monoisotopic Mass: 388.2474409
SMILES and InChIs

SMILES:
N1(C(=O)CCC2(C1)CCN(CCC(=O)Nc1cnccc1)CC2)CCCOC
Canonical SMILES:
COCCCN1CC2(CCN(CC2)CCC(=O)Nc2cccnc2)CCC1=O
InChI:
InChI=1S/C21H32N4O3/c1-28-15-3-11-25-17-21(7-5-20(25)27)8-13-24(14-9-21)12-6-19(26)23-18-4-2-10-22-16-18/h2,4,10,16H,3,5-9,11-15,17H2,1H3,(H,23,26)
InChIKey:
CLKSOPRWOLSHSP-UHFFFAOYSA-N

Cite this record

CBID:323757 http://www.chembase.cn/molecule-323757.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-(pyridin-3-yl)propanamide
IUPAC Traditional name
3-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-(pyridin-3-yl)propanamide
Synonyms
3-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undec-9-yl]-N-pyridin-3-ylpropanamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11479325 external link Add to cart
Data Source Data ID Price
ChemBridge
11479325 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 12.673084  H Acceptors
H Donor LogD (pH = 5.5) -3.2565434 
LogD (pH = 7.4) -1.7081475  Log P 0.019322554 
Molar Refractivity 109.9635 cm3 Polarizability 42.07187 Å3
Polar Surface Area 74.77 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.1  LOG S -2.97 
Polar Surface Area 74.77 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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