3-[(1S)-1-(4-methylphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione

C18H23NO3 — CID 67996203

IUPAC3-[(1S)-1-(4-methylphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
SMILESCc1ccc([C@H](C)N2CCC3(CCC(=O)CC3)OC2=O)cc1
InChIInChI=1S/C18H23NO3/c1-13-3-5-15(6-4-13)14(2)19-12-11-18(22-17(19)21)9-7-16(20)8-10-18/h3-6,14H,7-12H2,1-2H3/t14-/m0/s1
InChIKeyLHGUORVRVZDKTM-AWEZNQCLSA-N
MW301.39 g/mol
LogP3.78
Rot. Bonds2

About 3-[(1S)-1-(4-methylphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione

3-[(1S)-1-(4-methylphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione (PubChem CID 67996203) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[(1S)-1-(4-methylphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione.

Molecular Properties

Compound Name3-[(1S)-1-(4-methylphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
PubChem CID67996203
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name3-[(1S)-1-(4-methylphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
SMILESCc1ccc([C@H](C)N2CCC3(CCC(=O)CC3)OC2=O)cc1
InChIInChI=1S/C18H23NO3/c1-13-3-5-15(6-4-13)14(2)19-12-11-18(22-17(19)21)9-7-16(20)8-10-18/h3-6,14H,7-12H2,1-2H3/t14-/m0/s1
InChIKeyLHGUORVRVZDKTM-AWEZNQCLSA-N
XLogP3.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(1S)-1-(4-methylphenyl)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

Related Compounds

3-[(S)-1-(4-Bromo-phenyl)-ethyl]-1-oxa-3-aza-spiro[5.5]undecane-2,9-dione
CID 56595752
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-(2-chlorophenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
CID 67995422
3-[(1S)-1-(4-methylphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
CID 67995690
3-[(S)-1-Naphthalen-1-yl-ethyl]-1-oxa-3-aza-spiro[5.5]undecane-2,9-dione
CID 67995731
3-{(S)-1-[4-(1-Methyl-2-oxo-1,2-dihydro-pyridin-4-yl)-phenyl]-ethyl}-1-oxa-3-aza-spiro[5.5]undecane-2,9-dione
CID 67995838
9-hydroxy-3-[(1S)-1-(4-methylphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 67995930
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

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-(4-methylphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
The IUPAC name of 3-[(1S)-1-(4-methylphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione (CID 67996203) is 3-[(1S)-1-(4-methylphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione.
What is the SMILES notation for 3-[(1S)-1-(4-methylphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
The canonical SMILES for 3-[(1S)-1-(4-methylphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione is Cc1ccc([C@H](C)N2CCC3(CCC(=O)CC3)OC2=O)cc1.
What is the InChIKey of 3-[(1S)-1-(4-methylphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
The InChIKey is LHGUORVRVZDKTM-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23NO3/c1-13-3-5-15(6-4-13)14(2)19-12-11-18(22-17(19)21)9-7-16(20)8-10-18/h3-6,14H,7-12H2,1-2H3/t14-/m0/s1.
What are the key properties of 3-[(1S)-1-(4-methylphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
3-[(1S)-1-(4-methylphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione has a molecular weight of 301.39 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-(4-methylphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione is sourced from PubChem (CID 67996203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).