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

C18H22ClNO3 — CID 67996156

IUPAC3-[(1S)-1-(4-chlorophenyl)propyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
SMILESCC[C@@H](c1ccc(Cl)cc1)N1CCC2(CCC(=O)CC2)OC1=O
InChIInChI=1S/C18H22ClNO3/c1-2-16(13-3-5-14(19)6-4-13)20-12-11-18(23-17(20)22)9-7-15(21)8-10-18/h3-6,16H,2,7-12H2,1H3/t16-/m0/s1
InChIKeyXDNCKBQJWARRIF-INIZCTEOSA-N
MW335.83 g/mol
LogP4.52
Rot. Bonds3

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

3-[(1S)-1-(4-chlorophenyl)propyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione (PubChem CID 67996156) has the molecular formula C18H22ClNO3 and a molecular weight of 335.83 g/mol. Its IUPAC name is 3-[(1S)-1-(4-chlorophenyl)propyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione.

Molecular Properties

Compound Name3-[(1S)-1-(4-chlorophenyl)propyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
PubChem CID67996156
Molecular FormulaC18H22ClNO3
Molecular Weight335.83 g/mol
Exact Mass335.13
IUPAC Name3-[(1S)-1-(4-chlorophenyl)propyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
SMILESCC[C@@H](c1ccc(Cl)cc1)N1CCC2(CCC(=O)CC2)OC1=O
InChIInChI=1S/C18H22ClNO3/c1-2-16(13-3-5-14(19)6-4-13)20-12-11-18(23-17(20)22)9-7-15(21)8-10-18/h3-6,16H,2,7-12H2,1H3/t16-/m0/s1
InChIKeyXDNCKBQJWARRIF-INIZCTEOSA-N
XLogP4.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-(4-chlorophenyl)propyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
The IUPAC name of 3-[(1S)-1-(4-chlorophenyl)propyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione (CID 67996156) is 3-[(1S)-1-(4-chlorophenyl)propyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione.
What is the SMILES notation for 3-[(1S)-1-(4-chlorophenyl)propyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
The canonical SMILES for 3-[(1S)-1-(4-chlorophenyl)propyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione is CC[C@@H](c1ccc(Cl)cc1)N1CCC2(CCC(=O)CC2)OC1=O.
What is the InChIKey of 3-[(1S)-1-(4-chlorophenyl)propyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
The InChIKey is XDNCKBQJWARRIF-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22ClNO3/c1-2-16(13-3-5-14(19)6-4-13)20-12-11-18(23-17(20)22)9-7-15(21)8-10-18/h3-6,16H,2,7-12H2,1H3/t16-/m0/s1.
What are the key properties of 3-[(1S)-1-(4-chlorophenyl)propyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
3-[(1S)-1-(4-chlorophenyl)propyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione has a molecular weight of 335.83 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-(4-chlorophenyl)propyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione is sourced from PubChem (CID 67996156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).