2-ethyl-8-[2-[(1S)-2,2,2-trifluoro-1-phenylethoxy]acetyl]-2,8-diazaspiro[4.5]decan-3-one

C20H25F3N2O3 — CID 97277244

IUPAC2-ethyl-8-[2-[(1S)-2,2,2-trifluoro-1-phenylethoxy]acetyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(C(=O)CO[C@@H](c3ccccc3)C(F)(F)F)CC2)CC1=O
InChIInChI=1S/C20H25F3N2O3/c1-2-24-14-19(12-16(24)26)8-10-25(11-9-19)17(27)13-28-18(20(21,22)23)15-6-4-3-5-7-15/h3-7,18H,2,8-14H2,1H3/t18-/m0/s1
InChIKeyCUXLQKQYNFLNHI-SFHVURJKSA-N
MW398.43 g/mol
LogP3.17
Rot. Bonds5

About 2-ethyl-8-[2-[(1S)-2,2,2-trifluoro-1-phenylethoxy]acetyl]-2,8-diazaspiro[4.5]decan-3-one

2-ethyl-8-[2-[(1S)-2,2,2-trifluoro-1-phenylethoxy]acetyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 97277244) has the molecular formula C20H25F3N2O3 and a molecular weight of 398.43 g/mol. Its IUPAC name is 2-ethyl-8-[2-[(1S)-2,2,2-trifluoro-1-phenylethoxy]acetyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-ethyl-8-[2-[(1S)-2,2,2-trifluoro-1-phenylethoxy]acetyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID97277244
Molecular FormulaC20H25F3N2O3
Molecular Weight398.43 g/mol
Exact Mass398.18
IUPAC Name2-ethyl-8-[2-[(1S)-2,2,2-trifluoro-1-phenylethoxy]acetyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(C(=O)CO[C@@H](c3ccccc3)C(F)(F)F)CC2)CC1=O
InChIInChI=1S/C20H25F3N2O3/c1-2-24-14-19(12-16(24)26)8-10-25(11-9-19)17(27)13-28-18(20(21,22)23)15-6-4-3-5-7-15/h3-7,18H,2,8-14H2,1H3/t18-/m0/s1
InChIKeyCUXLQKQYNFLNHI-SFHVURJKSA-N
XLogP3.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[3-(benzenesulfonyl)propanoyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 72852577
8-[(2R)-2-fluoro-2-phenylacetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97139736
propan-2-yl 3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 72918682
8-[2-(4-fluorophenoxy)acetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72936310
2-(2,2,2-trifluoro-1-phenylethoxy)acetic acid
CID 2833951
2-benzyl-8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70750695
2-ethyl-9-[(2R)-2-(methylamino)-2-phenylacetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97126301
8-[2-(methylamino)acetyl]-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 154898542
1-(2-benzhydryl-2,7-diazaspiro[3.5]nonan-7-yl)-2-methoxyethanone
CID 3234333
8-[2-(1,2-benzoxazol-3-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 155873513
8-(5-chlorothiophene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 70754635
8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 70753899

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-[2-[(1S)-2,2,2-trifluoro-1-phenylethoxy]acetyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-ethyl-8-[2-[(1S)-2,2,2-trifluoro-1-phenylethoxy]acetyl]-2,8-diazaspiro[4.5]decan-3-one (CID 97277244) is 2-ethyl-8-[2-[(1S)-2,2,2-trifluoro-1-phenylethoxy]acetyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-ethyl-8-[2-[(1S)-2,2,2-trifluoro-1-phenylethoxy]acetyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-ethyl-8-[2-[(1S)-2,2,2-trifluoro-1-phenylethoxy]acetyl]-2,8-diazaspiro[4.5]decan-3-one is CCN1CC2(CCN(C(=O)CO[C@@H](c3ccccc3)C(F)(F)F)CC2)CC1=O.
What is the InChIKey of 2-ethyl-8-[2-[(1S)-2,2,2-trifluoro-1-phenylethoxy]acetyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is CUXLQKQYNFLNHI-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25F3N2O3/c1-2-24-14-19(12-16(24)26)8-10-25(11-9-19)17(27)13-28-18(20(21,22)23)15-6-4-3-5-7-15/h3-7,18H,2,8-14H2,1H3/t18-/m0/s1.
What are the key properties of 2-ethyl-8-[2-[(1S)-2,2,2-trifluoro-1-phenylethoxy]acetyl]-2,8-diazaspiro[4.5]decan-3-one?
2-ethyl-8-[2-[(1S)-2,2,2-trifluoro-1-phenylethoxy]acetyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 398.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-[2-[(1S)-2,2,2-trifluoro-1-phenylethoxy]acetyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 97277244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).