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

2-(1-benzyl-2-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl)-N-(2-methylprop-2-en-1-yl)acetamide

ChemBase ID: 470785
Molecular Formular: C22H26N2O2
Molecular Mass: 350.45404
Monoisotopic Mass: 350.19942808
SMILES and InChIs

SMILES:
n1(c2c(c(c1C)CC(=O)NCC(=C)C)C(=O)CCC2)Cc1ccccc1
Canonical SMILES:
CC(=C)CNC(=O)Cc1c(C)n(c2c1C(=O)CCC2)Cc1ccccc1
InChI:
InChI=1S/C22H26N2O2/c1-15(2)13-23-21(26)12-18-16(3)24(14-17-8-5-4-6-9-17)19-10-7-11-20(25)22(18)19/h4-6,8-9H,1,7,10-14H2,2-3H3,(H,23,26)
InChIKey:
PGHLTNBNZMITGY-UHFFFAOYSA-N

Cite this record

CBID:470785 http://www.chembase.cn/molecule-470785.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(1-benzyl-2-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl)-N-(2-methylprop-2-en-1-yl)acetamide
IUPAC Traditional name
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(2-methylprop-2-en-1-yl)acetamide
Synonyms
2-(1-benzyl-2-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl)-N-(2-methyl-2-propen-1-yl)acetamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 34015843 external link Add to cart
Data Source Data ID Price
ChemBridge
34015843 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.526741  H Acceptors
H Donor LogD (pH = 5.5) 3.3019059 
LogD (pH = 7.4) 3.3019059  Log P 3.3019059 
Molar Refractivity 105.2472 cm3 Polarizability 39.865025 Å3
Polar Surface Area 51.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.32  LOG S -5.34 
Polar Surface Area 51.1 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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