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164280468 molecular structure
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N-[4-({4-methyl-3-oxo-1H,3H,4H-furo[3,4-b]indol-1-yl}amino)phenyl]acetamide

ChemBase ID: 224558
Molecular Formular: C19H17N3O3
Molecular Mass: 335.35658
Monoisotopic Mass: 335.12699142
SMILES and InChIs

SMILES:
c12c(n(c3c2cccc3)C)C(=O)OC1Nc1ccc(NC(=O)C)cc1
Canonical SMILES:
CC(=O)Nc1ccc(cc1)NC1OC(=O)c2c1c1ccccc1n2C
InChI:
InChI=1S/C19H17N3O3/c1-11(23)20-12-7-9-13(10-8-12)21-18-16-14-5-3-4-6-15(14)22(2)17(16)19(24)25-18/h3-10,18,21H,1-2H3,(H,20,23)
InChIKey:
PPXOINCALNSENA-UHFFFAOYSA-N

Cite this record

CBID:224558 http://www.chembase.cn/molecule-224558.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[4-({4-methyl-3-oxo-1H,3H,4H-furo[3,4-b]indol-1-yl}amino)phenyl]acetamide
IUPAC Traditional name
N-[4-({4-methyl-3-oxo-1H-furo[3,4-b]indol-1-yl}amino)phenyl]acetamide
PubChem SID
164280468
PubChem CID
52994320

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 52994320 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.054511  H Acceptors
H Donor LogD (pH = 5.5) 2.6084766 
LogD (pH = 7.4) 2.6084676  Log P 2.6084766 
Molar Refractivity 96.382 cm3 Polarizability 36.59703 Å3
Polar Surface Area 72.36 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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