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N-[2-(3,3-diphenylpiperidin-1-yl)-2-oxoethyl]-2-methylpropanamide
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ChemBase ID:
340097
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Molecular Formular:
C23H28N2O2
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Molecular Mass:
364.48062
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Monoisotopic Mass:
364.21507815
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SMILES and InChIs
SMILES:
N1(CC(c2ccccc2)(c2ccccc2)CCC1)C(=O)CNC(=O)C(C)C
Canonical SMILES:
O=C(C(C)C)NCC(=O)N1CCCC(C1)(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C23H28N2O2/c1-18(2)22(27)24-16-21(26)25-15-9-14-23(17-25,19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-13,18H,9,14-17H2,1-2H3,(H,24,27)
InChIKey:
ZTIUEVOSCJDUMW-UHFFFAOYSA-N
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Cite this record
CBID:340097 http://www.chembase.cn/molecule-340097.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-[2-(3,3-diphenylpiperidin-1-yl)-2-oxoethyl]-2-methylpropanamide
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IUPAC Traditional name
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N-[2-(3,3-diphenylpiperidin-1-yl)-2-oxoethyl]-2-methylpropanamide
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Synonyms
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N-[2-(3,3-diphenylpiperidin-1-yl)-2-oxoethyl]-2-methylpropanamide (non-preferred name)
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
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13.297853
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H Acceptors
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2
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H Donor
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1
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LogD (pH = 5.5)
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3.4162505
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LogD (pH = 7.4)
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3.41625
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Log P
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3.4162505
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Molar Refractivity
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117.9603 cm3
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Polarizability
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41.87383 Å3
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Polar Surface Area
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49.41 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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H Acceptors
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2
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H Donor
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1
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Log P
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3.9
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LOG S
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-5.05
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Polar Surface Area
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49.41 Å2
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Rotatable Bonds
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5
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent