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

2-methylpropyl 3-oxo-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate

ChemBase ID: 340140
Molecular Formular: C22H32N2O3
Molecular Mass: 372.50108
Monoisotopic Mass: 372.24129289
SMILES and InChIs

SMILES:
N1(C(=O)CCC2(C1)CCN(C(=O)OCC(C)C)CC2)CCc1ccccc1
Canonical SMILES:
CC(COC(=O)N1CCC2(CC1)CCC(=O)N(C2)CCc1ccccc1)C
InChI:
InChI=1S/C22H32N2O3/c1-18(2)16-27-21(26)23-14-11-22(12-15-23)10-8-20(25)24(17-22)13-9-19-6-4-3-5-7-19/h3-7,18H,8-17H2,1-2H3
InChIKey:
ATCTWYHMMCLBAG-UHFFFAOYSA-N

Cite this record

CBID:340140 http://www.chembase.cn/molecule-340140.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methylpropyl 3-oxo-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate
IUPAC Traditional name
2-methylpropyl 3-oxo-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate
Synonyms
isobutyl 3-oxo-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13830184 external link Add to cart
Data Source Data ID Price
ChemBridge
13830184 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 3.1783357  LogD (pH = 7.4) 3.1783357 
Log P 3.1783357  Molar Refractivity 106.1568 cm3
Polarizability 41.443863 Å3 Polar Surface Area 49.85 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.63  LOG S -5.02 
Polar Surface Area 49.85 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