Home > Compound List > Compound details
164280613 molecular structure
click picture or here to close

N-[2-(1H-indol-3-yl)ethyl]-1-methyl-1H-indole-3-carboxamide

ChemBase ID: 224703
Molecular Formular: C20H19N3O
Molecular Mass: 317.38436
Monoisotopic Mass: 317.15281224
SMILES and InChIs

SMILES:
c1(cn(c2c1cccc2)C)C(=O)NCCc1c[nH]c2c1cccc2
Canonical SMILES:
O=C(c1cn(c2c1cccc2)C)NCCc1c[nH]c2c1cccc2
InChI:
InChI=1S/C20H19N3O/c1-23-13-17(16-7-3-5-9-19(16)23)20(24)21-11-10-14-12-22-18-8-4-2-6-15(14)18/h2-9,12-13,22H,10-11H2,1H3,(H,21,24)
InChIKey:
FQTYLPGGBQJZJK-UHFFFAOYSA-N

Cite this record

CBID:224703 http://www.chembase.cn/molecule-224703.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[2-(1H-indol-3-yl)ethyl]-1-methyl-1H-indole-3-carboxamide
IUPAC Traditional name
N-[2-(1H-indol-3-yl)ethyl]-1-methylindole-3-carboxamide
PubChem SID
164280613
PubChem CID
17508972

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 17508972 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.134947  H Acceptors
H Donor LogD (pH = 5.5) 3.4818964 
LogD (pH = 7.4) 3.4818966  Log P 3.4818966 
Molar Refractivity 96.4704 cm3 Polarizability 38.712505 Å3
Polar Surface Area 49.82 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

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle