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

C21H23NO3 — CID 67995731

IUPAC3-[(1S)-1-naphthalen-1-ylethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
SMILESC[C@@H](c1cccc2ccccc12)N1CCC2(CCC(=O)CC2)OC1=O
InChIInChI=1S/C21H23NO3/c1-15(18-8-4-6-16-5-2-3-7-19(16)18)22-14-13-21(25-20(22)24)11-9-17(23)10-12-21/h2-8,15H,9-14H2,1H3/t15-/m0/s1
InChIKeyNRTJAQNCTNFXDM-HNNXBMFYSA-N
MW337.42 g/mol
LogP4.62
Rot. Bonds2

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

3-[(1S)-1-naphthalen-1-ylethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione (PubChem CID 67995731) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-[(1S)-1-naphthalen-1-ylethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione.

Molecular Properties

Compound Name3-[(1S)-1-naphthalen-1-ylethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
PubChem CID67995731
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name3-[(1S)-1-naphthalen-1-ylethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
SMILESC[C@@H](c1cccc2ccccc12)N1CCC2(CCC(=O)CC2)OC1=O
InChIInChI=1S/C21H23NO3/c1-15(18-8-4-6-16-5-2-3-7-19(16)18)22-14-13-21(25-20(22)24)11-9-17(23)10-12-21/h2-8,15H,9-14H2,1H3/t15-/m0/s1
InChIKeyNRTJAQNCTNFXDM-HNNXBMFYSA-N
XLogP4.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(1S)-1-naphthalen-1-ylethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione with MolForge

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Related Compounds

9-hydroxy-3-[(1S)-1-naphthalen-2-ylethyl]-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 56589643
3-[(S)-1-(3,4-Difluoro-phenyl)-ethyl]-1-oxa-3-aza-spiro[5.5]undecane-2,9-dione
CID 56595758
3-[(S)-1-(4-Trifluoromethyl-phenyl)-ethyl]-1-oxa-3-aza-spiro[5.5]undecane-2,9-dione
CID 56595801
3-[(S)-Indan-1-yl]-1-oxa-3-aza-spiro[5.5]undecane-2,9-dione
CID 56595804
3-[(1S)-1-(4-methylphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
CID 67995690
3-[(S)-1-Naphthalen-2-yl-ethyl]-1-oxa-3-aza-spiro[5.5]undecane-2,9-dione
CID 67995933
3-[(S)-1-(4-tert-Butyl-phenyl)-ethyl]-1-oxa-3-aza-spiro[5.5]undecane-2,9-dione
CID 67995942
3-[(S)-1-(4-Difluoromethyl-phenyl)-ethyl]-1-oxa-3-aza-spiro[5.5]undecane-2,9-dione
CID 67995958
3-[(S)-1-Phenyl-propyl]-1-oxa-3-aza-spiro[5.5]undecane-2,9-dione
CID 67996093
3-[(S)-1-Phenyl-ethyl]-1-oxa-3-aza-spiro[5.5]undecane-2,9-dione
CID 67996134
3-[(S)-1-(4-Fluoro-phenyl)-ethyl]-1-oxa-3-aza-spiro[5.5]undecane-2,9-dione
CID 67996158
3-[(1S)-1-(4-methylphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
CID 67996203

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-naphthalen-1-ylethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
The IUPAC name of 3-[(1S)-1-naphthalen-1-ylethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione (CID 67995731) is 3-[(1S)-1-naphthalen-1-ylethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione.
What is the SMILES notation for 3-[(1S)-1-naphthalen-1-ylethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
The canonical SMILES for 3-[(1S)-1-naphthalen-1-ylethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione is C[C@@H](c1cccc2ccccc12)N1CCC2(CCC(=O)CC2)OC1=O.
What is the InChIKey of 3-[(1S)-1-naphthalen-1-ylethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
The InChIKey is NRTJAQNCTNFXDM-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-15(18-8-4-6-16-5-2-3-7-19(16)18)22-14-13-21(25-20(22)24)11-9-17(23)10-12-21/h2-8,15H,9-14H2,1H3/t15-/m0/s1.
What are the key properties of 3-[(1S)-1-naphthalen-1-ylethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
3-[(1S)-1-naphthalen-1-ylethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione has a molecular weight of 337.42 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-naphthalen-1-ylethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione is sourced from PubChem (CID 67995731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).