ethyl 2-oxo-4-phenyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

C17H21NO4 — CID 12832713

IUPACethyl 2-oxo-4-phenyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)OC(=O)CC2c1ccccc1
InChIInChI=1S/C17H21NO4/c1-2-21-16(20)18-10-8-17(9-11-18)14(12-15(19)22-17)13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3
InChIKeyBZQOWCAQQZAIDO-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.71
Rot. Bonds2

About ethyl 2-oxo-4-phenyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

ethyl 2-oxo-4-phenyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 12832713) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is ethyl 2-oxo-4-phenyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-4-phenyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID12832713
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Nameethyl 2-oxo-4-phenyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)OC(=O)CC2c1ccccc1
InChIInChI=1S/C17H21NO4/c1-2-21-16(20)18-10-8-17(9-11-18)14(12-15(19)22-17)13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3
InChIKeyBZQOWCAQQZAIDO-UHFFFAOYSA-N
XLogP2.71
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-4-phenyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of ethyl 2-oxo-4-phenyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (CID 12832713) is ethyl 2-oxo-4-phenyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for ethyl 2-oxo-4-phenyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for ethyl 2-oxo-4-phenyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is CCOC(=O)N1CCC2(CC1)OC(=O)CC2c1ccccc1.
What is the InChIKey of ethyl 2-oxo-4-phenyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is BZQOWCAQQZAIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-2-21-16(20)18-10-8-17(9-11-18)14(12-15(19)22-17)13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3.
What are the key properties of ethyl 2-oxo-4-phenyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
ethyl 2-oxo-4-phenyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 303.36 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-4-phenyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 12832713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).