(2R,6S)-4-ethyl-10-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

C19H27FN2O2 — CID 129053850

IUPAC(2R,6S)-4-ethyl-10-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESCCN1C[C@@]2(CCCN(Cc3ccc(F)cc3)CC2)O[C@H](C)C1=O
InChIInChI=1S/C19H27FN2O2/c1-3-22-14-19(24-15(2)18(22)23)9-4-11-21(12-10-19)13-16-5-7-17(20)8-6-16/h5-8,15H,3-4,9-14H2,1-2H3/t15-,19+/m1/s1
InChIKeySDLMDCGHIYSNOS-BEFAXECRSA-N
MW334.44 g/mol
LogP2.82
Rot. Bonds3

About (2R,6S)-4-ethyl-10-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

(2R,6S)-4-ethyl-10-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (PubChem CID 129053850) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is (2R,6S)-4-ethyl-10-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name(2R,6S)-4-ethyl-10-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
PubChem CID129053850
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name(2R,6S)-4-ethyl-10-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESCCN1C[C@@]2(CCCN(Cc3ccc(F)cc3)CC2)O[C@H](C)C1=O
InChIInChI=1S/C19H27FN2O2/c1-3-22-14-19(24-15(2)18(22)23)9-4-11-21(12-10-19)13-16-5-7-17(20)8-6-16/h5-8,15H,3-4,9-14H2,1-2H3/t15-,19+/m1/s1
InChIKeySDLMDCGHIYSNOS-BEFAXECRSA-N
XLogP2.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-ethyl-10-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of (2R,6S)-4-ethyl-10-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (CID 129053850) is (2R,6S)-4-ethyl-10-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for (2R,6S)-4-ethyl-10-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for (2R,6S)-4-ethyl-10-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is CCN1C[C@@]2(CCCN(Cc3ccc(F)cc3)CC2)O[C@H](C)C1=O.
What is the InChIKey of (2R,6S)-4-ethyl-10-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The InChIKey is SDLMDCGHIYSNOS-BEFAXECRSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-3-22-14-19(24-15(2)18(22)23)9-4-11-21(12-10-19)13-16-5-7-17(20)8-6-16/h5-8,15H,3-4,9-14H2,1-2H3/t15-,19+/m1/s1.
What are the key properties of (2R,6S)-4-ethyl-10-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
(2R,6S)-4-ethyl-10-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one has a molecular weight of 334.44 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-ethyl-10-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 129053850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).