3-[(1S)-1-phenylpropyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione

C18H23NO3 — CID 67996093

IUPAC3-[(1S)-1-phenylpropyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
SMILESCC[C@@H](c1ccccc1)N1CCC2(CCC(=O)CC2)OC1=O
InChIInChI=1S/C18H23NO3/c1-2-16(14-6-4-3-5-7-14)19-13-12-18(22-17(19)21)10-8-15(20)9-11-18/h3-7,16H,2,8-13H2,1H3/t16-/m0/s1
InChIKeyZTKFODCSJPDAOM-INIZCTEOSA-N
MW301.39 g/mol
LogP3.86
Rot. Bonds3

About 3-[(1S)-1-phenylpropyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione

3-[(1S)-1-phenylpropyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione (PubChem CID 67996093) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[(1S)-1-phenylpropyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione.

Molecular Properties

Compound Name3-[(1S)-1-phenylpropyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
PubChem CID67996093
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name3-[(1S)-1-phenylpropyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
SMILESCC[C@@H](c1ccccc1)N1CCC2(CCC(=O)CC2)OC1=O
InChIInChI=1S/C18H23NO3/c1-2-16(14-6-4-3-5-7-14)19-13-12-18(22-17(19)21)10-8-15(20)9-11-18/h3-7,16H,2,8-13H2,1H3/t16-/m0/s1
InChIKeyZTKFODCSJPDAOM-INIZCTEOSA-N
XLogP3.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-phenylpropyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
The IUPAC name of 3-[(1S)-1-phenylpropyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione (CID 67996093) is 3-[(1S)-1-phenylpropyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione.
What is the SMILES notation for 3-[(1S)-1-phenylpropyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
The canonical SMILES for 3-[(1S)-1-phenylpropyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione is CC[C@@H](c1ccccc1)N1CCC2(CCC(=O)CC2)OC1=O.
What is the InChIKey of 3-[(1S)-1-phenylpropyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
The InChIKey is ZTKFODCSJPDAOM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23NO3/c1-2-16(14-6-4-3-5-7-14)19-13-12-18(22-17(19)21)10-8-15(20)9-11-18/h3-7,16H,2,8-13H2,1H3/t16-/m0/s1.
What are the key properties of 3-[(1S)-1-phenylpropyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
3-[(1S)-1-phenylpropyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione has a molecular weight of 301.39 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-phenylpropyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione is sourced from PubChem (CID 67996093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).