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

N-[2-(2-cyclopropyl-6-oxo-1,6-dihydropyrimidin-4-yl)ethyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide

ChemBase ID: 470720
Molecular Formular: C20H23N3O2
Molecular Mass: 337.41552
Monoisotopic Mass: 337.17902699
SMILES and InChIs

SMILES:
c1([nH]c(=O)cc(n1)CCNC(=O)CC1c2c(CC1)cccc2)C1CC1
Canonical SMILES:
O=C(CC1CCc2c1cccc2)NCCc1cc(=O)[nH]c(n1)C1CC1
InChI:
InChI=1S/C20H23N3O2/c24-18(11-15-8-5-13-3-1-2-4-17(13)15)21-10-9-16-12-19(25)23-20(22-16)14-6-7-14/h1-4,12,14-15H,5-11H2,(H,21,24)(H,22,23,25)
InChIKey:
KRZHXAFEZHWETK-UHFFFAOYSA-N

Cite this record

CBID:470720 http://www.chembase.cn/molecule-470720.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[2-(2-cyclopropyl-6-oxo-1,6-dihydropyrimidin-4-yl)ethyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
IUPAC Traditional name
N-[2-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
Synonyms
N-[2-(2-cyclopropyl-6-oxo-1,6-dihydropyrimidin-4-yl)ethyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 34007232 external link Add to cart
Data Source Data ID Price
ChemBridge
34007232 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 9.224468  H Acceptors
H Donor LogD (pH = 5.5) 1.8133261 
LogD (pH = 7.4) 1.8077059  Log P 1.8134227 
Molar Refractivity 97.1889 cm3 Polarizability 36.74782 Å3
Polar Surface Area 70.56 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.13  LOG S -2.63 
Polar Surface Area 74.85 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