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3-{2-[cyclohexyl(methyl)amino]ethyl}-8-(pent-4-enoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

ChemBase ID: 340206
Molecular Formular: C21H35N3O3
Molecular Mass: 377.5209
Monoisotopic Mass: 377.267842
SMILES and InChIs

SMILES:
C1(=O)N(CC2(O1)CCN(C(=O)CCC=C)CC2)CCN(C1CCCCC1)C
Canonical SMILES:
C=CCCC(=O)N1CCC2(CC1)CN(C(=O)O2)CCN(C1CCCCC1)C
InChI:
InChI=1S/C21H35N3O3/c1-3-4-10-19(25)23-13-11-21(12-14-23)17-24(20(26)27-21)16-15-22(2)18-8-6-5-7-9-18/h3,18H,1,4-17H2,2H3
InChIKey:
JZSXNPNJPRFVNO-UHFFFAOYSA-N

Cite this record

CBID:340206 http://www.chembase.cn/molecule-340206.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-{2-[cyclohexyl(methyl)amino]ethyl}-8-(pent-4-enoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
IUPAC Traditional name
3-{2-[cyclohexyl(methyl)amino]ethyl}-8-(pent-4-enoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Synonyms
3-{2-[cyclohexyl(methyl)amino]ethyl}-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

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) -1.2285331  LogD (pH = 7.4) 0.087727055 
Log P 2.1458995  Molar Refractivity 106.4321 cm3
Polarizability 41.619656 Å3 Polar Surface Area 53.09 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.46  LOG S -4.91 
Polar Surface Area 53.09 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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