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2-(3-methoxypropyl)-8-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

ChemBase ID: 370156
Molecular Formular: C20H29N3O4
Molecular Mass: 375.46196
Monoisotopic Mass: 375.21580642
SMILES and InChIs

SMILES:
c1(noc2c1CCCC2)C(=O)N1CCC2(CN(C(=O)C2)CCCOC)CC1
Canonical SMILES:
COCCCN1CC2(CC1=O)CCN(CC2)C(=O)c1noc2c1CCCC2
InChI:
InChI=1S/C20H29N3O4/c1-26-12-4-9-23-14-20(13-17(23)24)7-10-22(11-8-20)19(25)18-15-5-2-3-6-16(15)27-21-18/h2-14H2,1H3
InChIKey:
KKNWVUKKBWWXPD-UHFFFAOYSA-N

Cite this record

CBID:370156 http://www.chembase.cn/molecule-370156.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3-methoxypropyl)-8-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
IUPAC Traditional name
2-(3-methoxypropyl)-8-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
Synonyms
2-(3-methoxypropyl)-8-(4,5,6,7-tetrahydro-1,2-benzisoxazol-3-ylcarbonyl)-2,8-diazaspiro[4.5]decan-3-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) 0.6909403  LogD (pH = 7.4) 0.69094074 
Log P 0.69094074  Molar Refractivity 101.9835 cm3
Polarizability 38.251396 Å3 Polar Surface Area 75.88 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.18  LOG S -3.4 
Polar Surface Area 75.88 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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