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

C18H23NO4 — CID 67995954

IUPAC3-[(1S)-1-(3-methoxyphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
SMILESCOc1cccc([C@H](C)N2CCC3(CCC(=O)CC3)OC2=O)c1
InChIInChI=1S/C18H23NO4/c1-13(14-4-3-5-16(12-14)22-2)19-11-10-18(23-17(19)21)8-6-15(20)7-9-18/h3-5,12-13H,6-11H2,1-2H3/t13-/m0/s1
InChIKeyJUPUDJIGDNMIQF-ZDUSSCGKSA-N
MW317.38 g/mol
LogP3.48
Rot. Bonds3

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

3-[(1S)-1-(3-methoxyphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione (PubChem CID 67995954) has the molecular formula C18H23NO4 and a molecular weight of 317.38 g/mol. Its IUPAC name is 3-[(1S)-1-(3-methoxyphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione.

Molecular Properties

Compound Name3-[(1S)-1-(3-methoxyphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
PubChem CID67995954
Molecular FormulaC18H23NO4
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name3-[(1S)-1-(3-methoxyphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
SMILESCOc1cccc([C@H](C)N2CCC3(CCC(=O)CC3)OC2=O)c1
InChIInChI=1S/C18H23NO4/c1-13(14-4-3-5-16(12-14)22-2)19-11-10-18(23-17(19)21)8-6-15(20)7-9-18/h3-5,12-13H,6-11H2,1-2H3/t13-/m0/s1
InChIKeyJUPUDJIGDNMIQF-ZDUSSCGKSA-N
XLogP3.48
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-(3-methoxyphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
The IUPAC name of 3-[(1S)-1-(3-methoxyphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione (CID 67995954) is 3-[(1S)-1-(3-methoxyphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione.
What is the SMILES notation for 3-[(1S)-1-(3-methoxyphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
The canonical SMILES for 3-[(1S)-1-(3-methoxyphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione is COc1cccc([C@H](C)N2CCC3(CCC(=O)CC3)OC2=O)c1.
What is the InChIKey of 3-[(1S)-1-(3-methoxyphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
The InChIKey is JUPUDJIGDNMIQF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23NO4/c1-13(14-4-3-5-16(12-14)22-2)19-11-10-18(23-17(19)21)8-6-15(20)7-9-18/h3-5,12-13H,6-11H2,1-2H3/t13-/m0/s1.
What are the key properties of 3-[(1S)-1-(3-methoxyphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
3-[(1S)-1-(3-methoxyphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione has a molecular weight of 317.38 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-(3-methoxyphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione is sourced from PubChem (CID 67995954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).