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2-[(4-phenylbutan-2-yl)amino]-N-(propan-2-yl)acetamide

ChemBase ID: 341597
Molecular Formular: C15H24N2O
Molecular Mass: 248.36386
Monoisotopic Mass: 248.1888634
SMILES and InChIs

SMILES:
C(=O)(NC(C)C)CNC(CCc1ccccc1)C
Canonical SMILES:
CC(CCc1ccccc1)NCC(=O)NC(C)C
InChI:
InChI=1S/C15H24N2O/c1-12(2)17-15(18)11-16-13(3)9-10-14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3,(H,17,18)
InChIKey:
DYFXDMWXZQKWTJ-UHFFFAOYSA-N

Cite this record

CBID:341597 http://www.chembase.cn/molecule-341597.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(4-phenylbutan-2-yl)amino]-N-(propan-2-yl)acetamide
IUPAC Traditional name
N-isopropyl-2-[(4-phenylbutan-2-yl)amino]acetamide
Synonyms
N-isopropyl-2-[(1-methyl-3-phenylpropyl)amino]acetamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 14041895 external link Add to cart
Data Source Data ID Price
ChemBridge
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.974181  H Acceptors
H Donor LogD (pH = 5.5) -0.6469606 
LogD (pH = 7.4) 0.88118744  Log P 2.3494992 
Molar Refractivity 75.0517 cm3 Polarizability 29.577614 Å3
Polar Surface Area 41.13 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.36  LOG S -3.03 
Polar Surface Area 41.13 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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