tert-butyl 3-oxo-10-phenyl-1-oxa-9-azaspiro[4.5]decane-9-carboxylate

C19H25NO4 — CID 18796375

IUPACtert-butyl 3-oxo-10-phenyl-1-oxa-9-azaspiro[4.5]decane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(CC(=O)CO2)C1c1ccccc1
InChIInChI=1S/C19H25NO4/c1-18(2,3)24-17(22)20-11-7-10-19(12-15(21)13-23-19)16(20)14-8-5-4-6-9-14/h4-6,8-9,16H,7,10-13H2,1-3H3
InChIKeyFEUUUASTXUJLKX-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.49
Rot. Bonds1

About tert-butyl 3-oxo-10-phenyl-1-oxa-9-azaspiro[4.5]decane-9-carboxylate

tert-butyl 3-oxo-10-phenyl-1-oxa-9-azaspiro[4.5]decane-9-carboxylate (PubChem CID 18796375) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is tert-butyl 3-oxo-10-phenyl-1-oxa-9-azaspiro[4.5]decane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-oxo-10-phenyl-1-oxa-9-azaspiro[4.5]decane-9-carboxylate
PubChem CID18796375
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Nametert-butyl 3-oxo-10-phenyl-1-oxa-9-azaspiro[4.5]decane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(CC(=O)CO2)C1c1ccccc1
InChIInChI=1S/C19H25NO4/c1-18(2,3)24-17(22)20-11-7-10-19(12-15(21)13-23-19)16(20)14-8-5-4-6-9-14/h4-6,8-9,16H,7,10-13H2,1-3H3
InChIKeyFEUUUASTXUJLKX-UHFFFAOYSA-N
XLogP3.49
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-oxo-10-phenyl-1-oxa-9-azaspiro[4.5]decane-9-carboxylate?
The IUPAC name of tert-butyl 3-oxo-10-phenyl-1-oxa-9-azaspiro[4.5]decane-9-carboxylate (CID 18796375) is tert-butyl 3-oxo-10-phenyl-1-oxa-9-azaspiro[4.5]decane-9-carboxylate.
What is the SMILES notation for tert-butyl 3-oxo-10-phenyl-1-oxa-9-azaspiro[4.5]decane-9-carboxylate?
The canonical SMILES for tert-butyl 3-oxo-10-phenyl-1-oxa-9-azaspiro[4.5]decane-9-carboxylate is CC(C)(C)OC(=O)N1CCCC2(CC(=O)CO2)C1c1ccccc1.
What is the InChIKey of tert-butyl 3-oxo-10-phenyl-1-oxa-9-azaspiro[4.5]decane-9-carboxylate?
The InChIKey is FEUUUASTXUJLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-18(2,3)24-17(22)20-11-7-10-19(12-15(21)13-23-19)16(20)14-8-5-4-6-9-14/h4-6,8-9,16H,7,10-13H2,1-3H3.
What are the key properties of tert-butyl 3-oxo-10-phenyl-1-oxa-9-azaspiro[4.5]decane-9-carboxylate?
tert-butyl 3-oxo-10-phenyl-1-oxa-9-azaspiro[4.5]decane-9-carboxylate has a molecular weight of 331.41 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-oxo-10-phenyl-1-oxa-9-azaspiro[4.5]decane-9-carboxylate is sourced from PubChem (CID 18796375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).