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2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{[8-(2-phenylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl}acetamide

ChemBase ID: 340423
Molecular Formular: C27H29N3O5
Molecular Mass: 475.53626
Monoisotopic Mass: 475.21072104
SMILES and InChIs

SMILES:
N1(C(=O)c2c(C1=O)cccc2)CC(=O)NCC1OC2(CCN(C(=O)Cc3ccccc3)CC2)CC1
Canonical SMILES:
O=C(CN1C(=O)c2c(C1=O)cccc2)NCC1CCC2(O1)CCN(CC2)C(=O)Cc1ccccc1
InChI:
InChI=1S/C27H29N3O5/c31-23(18-30-25(33)21-8-4-5-9-22(21)26(30)34)28-17-20-10-11-27(35-20)12-14-29(15-13-27)24(32)16-19-6-2-1-3-7-19/h1-9,20H,10-18H2,(H,28,31)
InChIKey:
BVVOGZYJKSYCKM-UHFFFAOYSA-N

Cite this record

CBID:340423 http://www.chembase.cn/molecule-340423.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{[8-(2-phenylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl}acetamide
IUPAC Traditional name
2-(1,3-dioxoisoindol-2-yl)-N-{[8-(2-phenylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl}acetamide
Synonyms
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-{[8-(phenylacetyl)-1-oxa-8-azaspiro[4.5]dec-2-yl]methyl}acetamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13872930 external link Add to cart
Data Source Data ID Price
ChemBridge
13872930 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 14.720562  H Acceptors
H Donor LogD (pH = 5.5) 1.2422138 
LogD (pH = 7.4) 1.2422138  Log P 1.2422138 
Molar Refractivity 129.6035 cm3 Polarizability 49.347553 Å3
Polar Surface Area 96.02 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.88  LOG S -5.83 
Polar Surface Area 96.02 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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