Home > Compound List > Compound details
431981-28-1 molecular structure
click picture or here to close

N-cyclopentyl-2-(3-formyl-1H-indol-1-yl)acetamide

ChemBase ID: 11465
Molecular Formular: C16H18N2O2
Molecular Mass: 270.32632
Monoisotopic Mass: 270.13682783
SMILES and InChIs

SMILES:
c1ccc2c(c1)c(cn2CC(=O)NC1CCCC1)C=O
Canonical SMILES:
O=Cc1cn(c2c1cccc2)CC(=O)NC1CCCC1
InChI:
InChI=1S/C16H18N2O2/c19-11-12-9-18(15-8-4-3-7-14(12)15)10-16(20)17-13-5-1-2-6-13/h3-4,7-9,11,13H,1-2,5-6,10H2,(H,17,20)
InChIKey:
FEEHNBPNHNGVQC-UHFFFAOYSA-N

Cite this record

CBID:11465 http://www.chembase.cn/molecule-11465.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-cyclopentyl-2-(3-formyl-1H-indol-1-yl)acetamide
IUPAC Traditional name
N-cyclopentyl-2-(3-formylindol-1-yl)acetamide
Synonyms
N-Cyclopentyl-2-(3-formyl-indol-1-yl)-acetamide
CAS Number
431981-28-1
MDL Number
MFCD02909080
PubChem SID
160974772
PubChem CID
784154

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
008420 external link Add to cart Please log in.
Data Source Data ID
PubChem 784154 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.404849  H Acceptors
H Donor LogD (pH = 5.5) 2.2576048 
LogD (pH = 7.4) 2.2576048  Log P 2.2576048 
Molar Refractivity 77.8419 cm3 Polarizability 30.80728 Å3
Polar Surface Area 51.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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