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2-[2-(dimethylamino)ethyl]-9-(2-methyl-3-phenylcycloprop-2-ene-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

ChemBase ID: 321456
Molecular Formular: C24H33N3O2
Molecular Mass: 395.53772
Monoisotopic Mass: 395.25727731
SMILES and InChIs

SMILES:
C1(=C(C1C(=O)N1CCC2(CN(C(=O)CC2)CCN(C)C)CC1)C)c1ccccc1
Canonical SMILES:
CN(CCN1CC2(CCN(CC2)C(=O)C2C(=C2C)c2ccccc2)CCC1=O)C
InChI:
InChI=1S/C24H33N3O2/c1-18-21(19-7-5-4-6-8-19)22(18)23(29)26-13-11-24(12-14-26)10-9-20(28)27(17-24)16-15-25(2)3/h4-8,22H,9-17H2,1-3H3
InChIKey:
NAXGZBPSZILLIR-UHFFFAOYSA-N

Cite this record

CBID:321456 http://www.chembase.cn/molecule-321456.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[2-(dimethylamino)ethyl]-9-(2-methyl-3-phenylcycloprop-2-ene-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
IUPAC Traditional name
2-[2-(dimethylamino)ethyl]-9-(2-methyl-3-phenylcycloprop-2-ene-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
Synonyms
2-[2-(dimethylamino)ethyl]-9-[(2-methyl-3-phenylcycloprop-2-en-1-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11153618 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) -1.3572909  LogD (pH = 7.4) 0.39802286 
Log P 1.4973861  Molar Refractivity 116.6153 cm3
Polarizability 45.067093 Å3 Polar Surface Area 43.86 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.47  LOG S -4.19 
Polar Surface Area 43.86 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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