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302-33-0 molecular structure
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2-(diethylamino)ethyl 2,2-diphenylpentanoate

ChemBase ID: 129111
Molecular Formular: C23H31NO2
Molecular Mass: 353.49774
Monoisotopic Mass: 353.23547924
SMILES and InChIs

SMILES:
O=C(OCCN(CC)CC)C(c1ccccc1)(c1ccccc1)CCC
Canonical SMILES:
CCCC(c1ccccc1)(c1ccccc1)C(=O)OCCN(CC)CC
InChI:
InChI=1S/C23H31NO2/c1-4-17-23(20-13-9-7-10-14-20,21-15-11-8-12-16-21)22(25)26-19-18-24(5-2)6-3/h7-16H,4-6,17-19H2,1-3H3
InChIKey:
SNTQPLDRUZOSDP-UHFFFAOYSA-N

Cite this record

CBID:129111 http://www.chembase.cn/molecule-129111.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(diethylamino)ethyl 2,2-diphenylpentanoate
IUPAC Traditional name
proadifen
Synonyms
SKF 525-A
Proadifen
CAS Number
302-33-0
PubChem SID
162223410
PubChem CID
4910
CHEMBL
282567
Chemspider ID
4741
Wikipedia Title
Proadifen

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4307017  LogD (pH = 7.4) 4.042275 
Log P 5.6110907  Molar Refractivity 107.903 cm3
Polarizability 42.511787 Å3 Polar Surface Area 29.54 Å2
Rotatable Bonds 11  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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