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

C20H25NO3 — CID 67996297

IUPAC3-[(1S)-1-(4-cyclopropylphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
SMILESC[C@@H](c1ccc(C2CC2)cc1)N1CCC2(CCC(=O)CC2)OC1=O
InChIInChI=1S/C20H25NO3/c1-14(15-2-4-16(5-3-15)17-6-7-17)21-13-12-20(24-19(21)23)10-8-18(22)9-11-20/h2-5,14,17H,6-13H2,1H3/t14-/m0/s1
InChIKeyLMKXYOASYAYGOU-AWEZNQCLSA-N
MW327.42 g/mol
LogP4.35
Rot. Bonds3

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

3-[(1S)-1-(4-cyclopropylphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione (PubChem CID 67996297) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 3-[(1S)-1-(4-cyclopropylphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione.

Molecular Properties

Compound Name3-[(1S)-1-(4-cyclopropylphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
PubChem CID67996297
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name3-[(1S)-1-(4-cyclopropylphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
SMILESC[C@@H](c1ccc(C2CC2)cc1)N1CCC2(CCC(=O)CC2)OC1=O
InChIInChI=1S/C20H25NO3/c1-14(15-2-4-16(5-3-15)17-6-7-17)21-13-12-20(24-19(21)23)10-8-18(22)9-11-20/h2-5,14,17H,6-13H2,1H3/t14-/m0/s1
InChIKeyLMKXYOASYAYGOU-AWEZNQCLSA-N
XLogP4.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 56595752
CID 56595752
CID 56595758
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CID 56595801
CID 56595801
CID 56595804
CID 56595804
CID 56595805
CID 56595805
CID 67995422
CID 67995422
CID 67995690
CID 67995690
CID 67995731
CID 67995731
CID 67995838
CID 67995838
CID 67995933
CID 67995933
CID 67995942
CID 67995942
CID 67995958
CID 67995958

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-(4-cyclopropylphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
The IUPAC name of 3-[(1S)-1-(4-cyclopropylphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione (CID 67996297) is 3-[(1S)-1-(4-cyclopropylphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione.
What is the SMILES notation for 3-[(1S)-1-(4-cyclopropylphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
The canonical SMILES for 3-[(1S)-1-(4-cyclopropylphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione is C[C@@H](c1ccc(C2CC2)cc1)N1CCC2(CCC(=O)CC2)OC1=O.
What is the InChIKey of 3-[(1S)-1-(4-cyclopropylphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
The InChIKey is LMKXYOASYAYGOU-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25NO3/c1-14(15-2-4-16(5-3-15)17-6-7-17)21-13-12-20(24-19(21)23)10-8-18(22)9-11-20/h2-5,14,17H,6-13H2,1H3/t14-/m0/s1.
What are the key properties of 3-[(1S)-1-(4-cyclopropylphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
3-[(1S)-1-(4-cyclopropylphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione has a molecular weight of 327.42 g/mol, XLogP of 4.35, 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-cyclopropylphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione is sourced from PubChem (CID 67996297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).