(2R)-4-ethyl-9-[2-(3-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C19H27FN2O2 — CID 118560969

IUPAC(2R)-4-ethyl-9-[2-(3-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCN(CCc3cccc(F)c3)CC2)O[C@H](C)C1=O
InChIInChI=1S/C19H27FN2O2/c1-3-22-14-19(24-15(2)18(22)23)8-11-21(12-9-19)10-7-16-5-4-6-17(20)13-16/h4-6,13,15H,3,7-12,14H2,1-2H3/t15-/m1/s1
InChIKeyMNYSMGPLHSJGLY-OAHLLOKOSA-N
MW334.44 g/mol
LogP2.47
Rot. Bonds4

About (2R)-4-ethyl-9-[2-(3-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

(2R)-4-ethyl-9-[2-(3-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 118560969) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is (2R)-4-ethyl-9-[2-(3-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(2R)-4-ethyl-9-[2-(3-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID118560969
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name(2R)-4-ethyl-9-[2-(3-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCN(CCc3cccc(F)c3)CC2)O[C@H](C)C1=O
InChIInChI=1S/C19H27FN2O2/c1-3-22-14-19(24-15(2)18(22)23)8-11-21(12-9-19)10-7-16-5-4-6-17(20)13-16/h4-6,13,15H,3,7-12,14H2,1-2H3/t15-/m1/s1
InChIKeyMNYSMGPLHSJGLY-OAHLLOKOSA-N
XLogP2.47
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-ethyl-9-[2-(3-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (2R)-4-ethyl-9-[2-(3-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 118560969) is (2R)-4-ethyl-9-[2-(3-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (2R)-4-ethyl-9-[2-(3-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (2R)-4-ethyl-9-[2-(3-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCN(CCc3cccc(F)c3)CC2)O[C@H](C)C1=O.
What is the InChIKey of (2R)-4-ethyl-9-[2-(3-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is MNYSMGPLHSJGLY-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-3-22-14-19(24-15(2)18(22)23)8-11-21(12-9-19)10-7-16-5-4-6-17(20)13-16/h4-6,13,15H,3,7-12,14H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-4-ethyl-9-[2-(3-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
(2R)-4-ethyl-9-[2-(3-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 334.44 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-ethyl-9-[2-(3-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 118560969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).