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N-[2-amino(2H4)ethyl]-2-(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)acetamide hydrochloride
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ChemBase ID:
160110
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Molecular Formular:
C16H27ClN2O2
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Molecular Mass:
314.85078
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Monoisotopic Mass:
314.17610579
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SMILES and InChIs
SMILES:
c1(c(cc(c(c1C)CC(=O)NCCN)C)C(C)(C)C)O.Cl
Canonical SMILES:
NCCNC(=O)Cc1c(C)cc(c(c1C)O)C(C)(C)C.Cl
InChI:
InChI=1S/C16H26N2O2.ClH/c1-10-8-13(16(3,4)5)15(20)11(2)12(10)9-14(19)18-7-6-17;/h8,20H,6-7,9,17H2,1-5H3,(H,18,19);1H
InChIKey:
HSRHYCZRQHLUGY-UHFFFAOYSA-N
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Cite this record
CBID:160110 http://www.chembase.cn/molecule-160110.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-[2-amino(2H4)ethyl]-2-(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)acetamide hydrochloride
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IUPAC Traditional name
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N-[2-amino(2H4)ethyl]-2-(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)acetamide hydrochloride
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Synonyms
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N-(2-Aminoethyl)-2-[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]acetamide-d4 Hydrochloride
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2-Aminoethyl 4-tert-Butyl-2,6-dimethyl-3-hydroxyphenylacetamide-d4 Hydrochloride
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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10.798686
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H Acceptors
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3
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H Donor
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3
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LogD (pH = 5.5)
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-0.44254786
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LogD (pH = 7.4)
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0.7516991
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Log P
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2.3759038
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Molar Refractivity
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82.7635 cm3
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Polarizability
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31.847458 Å3
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Polar Surface Area
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75.35 Å2
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Rotatable Bonds
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5
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Safety Information
Product Information
Bioassay(PubChem)
DETAILS
DETAILS
TRC
PATENTS
PATENTS
PubChem Patent
Google Patent