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164266115 molecular structure
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3,4,5-trimethoxy-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]benzamide

ChemBase ID: 210205
Molecular Formular: C21H24N2O5
Molecular Mass: 384.42566
Monoisotopic Mass: 384.16852188
SMILES and InChIs

SMILES:
[nH]1c2c(c(c1)CCNC(=O)c1cc(c(c(c1)OC)OC)OC)ccc(c2)OC
Canonical SMILES:
COc1ccc2c(c1)[nH]cc2CCNC(=O)c1cc(OC)c(c(c1)OC)OC
InChI:
InChI=1S/C21H24N2O5/c1-25-15-5-6-16-13(12-23-17(16)11-15)7-8-22-21(24)14-9-18(26-2)20(28-4)19(10-14)27-3/h5-6,9-12,23H,7-8H2,1-4H3,(H,22,24)
InChIKey:
CUUDHPACTHMANM-UHFFFAOYSA-N

Cite this record

CBID:210205 http://www.chembase.cn/molecule-210205.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,4,5-trimethoxy-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]benzamide
IUPAC Traditional name
3,4,5-trimethoxy-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]benzamide
PubChem SID
164266115
PubChem CID
1790376

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 1790376 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.355979  H Acceptors
H Donor LogD (pH = 5.5) 2.5287733 
LogD (pH = 7.4) 2.5287733  Log P 2.5287735 
Molar Refractivity 106.34 cm3 Polarizability 41.70794 Å3
Polar Surface Area 81.81 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Classification
Derivatives & analogs of Natural Compounds expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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