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3-ethyl-8-(6-methoxy-2,3-dihydro-1H-indene-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

ChemBase ID: 340057
Molecular Formular: C20H26N2O4
Molecular Mass: 358.43144
Monoisotopic Mass: 358.18925732
SMILES and InChIs

SMILES:
c1(C(=O)N2CCC3(OC(=O)N(C3)CC)CC2)cc2c(cc1OC)CCC2
Canonical SMILES:
CCN1CC2(OC1=O)CCN(CC2)C(=O)c1cc2CCCc2cc1OC
InChI:
InChI=1S/C20H26N2O4/c1-3-21-13-20(26-19(21)24)7-9-22(10-8-20)18(23)16-11-14-5-4-6-15(14)12-17(16)25-2/h11-12H,3-10,13H2,1-2H3
InChIKey:
JVFNNUNOXUYLCQ-UHFFFAOYSA-N

Cite this record

CBID:340057 http://www.chembase.cn/molecule-340057.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-ethyl-8-(6-methoxy-2,3-dihydro-1H-indene-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
IUPAC Traditional name
3-ethyl-8-(6-methoxy-2,3-dihydro-1H-indene-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Synonyms
3-ethyl-8-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13818889 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) 2.1032958  LogD (pH = 7.4) 2.1032958 
Log P 2.1032958  Molar Refractivity 98.2893 cm3
Polarizability 37.369286 Å3 Polar Surface Area 59.08 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.6  LOG S -4.03 
Polar Surface Area 59.08 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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