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

N-(2-methylphenyl)-7-(oxan-4-yl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide

ChemBase ID: 340091
Molecular Formular: C21H29N3O3
Molecular Mass: 371.47326
Monoisotopic Mass: 371.2208918
SMILES and InChIs

SMILES:
C12(C(=O)N(C3CCOCC3)CCC2)CN(C(=O)Nc2c(C)cccc2)CC1
Canonical SMILES:
O=C(N1CCC2(C1)CCCN(C2=O)C1CCOCC1)Nc1ccccc1C
InChI:
InChI=1S/C21H29N3O3/c1-16-5-2-3-6-18(16)22-20(26)23-12-10-21(15-23)9-4-11-24(19(21)25)17-7-13-27-14-8-17/h2-3,5-6,17H,4,7-15H2,1H3,(H,22,26)
InChIKey:
SCHIPRUIAQEHEQ-UHFFFAOYSA-N

Cite this record

CBID:340091 http://www.chembase.cn/molecule-340091.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-methylphenyl)-7-(oxan-4-yl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
IUPAC Traditional name
N-(2-methylphenyl)-7-(oxan-4-yl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
Synonyms
N-(2-methylphenyl)-6-oxo-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decane-2-carboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13823456 external link Add to cart
Data Source Data ID Price
ChemBridge
13823456 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 13.602463  H Acceptors
H Donor LogD (pH = 5.5) 1.7512773 
LogD (pH = 7.4) 1.751279  Log P 1.7512794 
Molar Refractivity 105.5207 cm3 Polarizability 39.932743 Å3
Polar Surface Area 61.88 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.6  LOG S -3.27 
Polar Surface Area 61.88 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