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

1-phenyl-N-{[8-(2-phenylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl}cyclopropane-1-carboxamide

ChemBase ID: 340547
Molecular Formular: C27H32N2O3
Molecular Mass: 432.55458
Monoisotopic Mass: 432.24129289
SMILES and InChIs

SMILES:
C1(CC1)(C(=O)NCC1OC2(CCN(C(=O)Cc3ccccc3)CC2)CC1)c1ccccc1
Canonical SMILES:
O=C(N1CCC2(CC1)CCC(O2)CNC(=O)C1(CC1)c1ccccc1)Cc1ccccc1
InChI:
InChI=1S/C27H32N2O3/c30-24(19-21-7-3-1-4-8-21)29-17-15-26(16-18-29)12-11-23(32-26)20-28-25(31)27(13-14-27)22-9-5-2-6-10-22/h1-10,23H,11-20H2,(H,28,31)
InChIKey:
XOOFUISTHIMJFZ-UHFFFAOYSA-N

Cite this record

CBID:340547 http://www.chembase.cn/molecule-340547.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-phenyl-N-{[8-(2-phenylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl}cyclopropane-1-carboxamide
IUPAC Traditional name
1-phenyl-N-{[8-(2-phenylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl}cyclopropane-1-carboxamide
Synonyms
1-phenyl-N-{[8-(phenylacetyl)-1-oxa-8-azaspiro[4.5]dec-2-yl]methyl}cyclopropanecarboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13891285 external link Add to cart
Data Source Data ID Price
ChemBridge
13891285 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 15.484928  H Acceptors
H Donor LogD (pH = 5.5) 3.0934002 
LogD (pH = 7.4) 3.0934002  Log P 3.0934002 
Molar Refractivity 123.9463 cm3 Polarizability 48.46585 Å3
Polar Surface Area 58.64 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.19  LOG S -6.4 
Polar Surface Area 58.64 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