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N-[2-(1H-indol-1-yl)ethyl]tricosanamide
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ChemBase ID:
157304
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Molecular Formular:
C33H56N2O
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Molecular Mass:
496.81054
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Monoisotopic Mass:
496.43926442
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SMILES and InChIs
SMILES:
CCCCCCCCCCCCCCCCCCCCCCC(=O)NCCn1ccc2c1cccc2
Canonical SMILES:
CCCCCCCCCCCCCCCCCCCCCCC(=O)NCCn1ccc2c1cccc2
InChI:
InChI=1S/C33H56N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-33(36)34-28-30-35-29-27-31-24-22-23-25-32(31)35/h22-25,27,29H,2-21,26,28,30H2,1H3,(H,34,36)
InChIKey:
BVLPUXWTTMJZDO-UHFFFAOYSA-N
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Cite this record
CBID:157304 http://www.chembase.cn/molecule-157304.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-[2-(1H-indol-1-yl)ethyl]tricosanamide
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IUPAC Traditional name
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N-[2-(indol-1-yl)ethyl]tricosanamide
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Synonyms
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TAT
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N-Tricosanoyltryptamine
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N-[2-(3-Indolyl)ethyl]tricosanamide
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Tricosanoic acid tryptamide
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N-[2-(3-吲哚基)乙基]二十三酰胺
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二十三酰色胺
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二十三酸色酰胺
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CAS Number
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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16.220032
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H Acceptors
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1
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H Donor
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1
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LogD (pH = 5.5)
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10.909455
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LogD (pH = 7.4)
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10.909456
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Log P
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10.909456
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Molar Refractivity
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156.0817 cm3
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Polarizability
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62.918705 Å3
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Polar Surface Area
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34.03 Å2
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Rotatable Bonds
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24
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Lipinski's Rule of Five
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false
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PATENTS
PATENTS
PubChem Patent
Google Patent