8-butyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-1,7-dione

C19H23F3N2O3 — CID 53482684

IUPAC8-butyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-1,7-dione
SMILESCCCCN1CCC2(CCN(c3ccc(OC(F)(F)F)cc3)C2=O)CC1=O
InChIInChI=1S/C19H23F3N2O3/c1-2-3-10-23-11-8-18(13-16(23)25)9-12-24(17(18)26)14-4-6-15(7-5-14)27-19(20,21)22/h4-7H,2-3,8-13H2,1H3
InChIKeyWXTJHBIVQBRVCS-UHFFFAOYSA-N
MW384.40 g/mol
LogP3.73
Rot. Bonds5

About 8-butyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-1,7-dione

8-butyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-1,7-dione (PubChem CID 53482684) has the molecular formula C19H23F3N2O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is 8-butyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-1,7-dione.

Molecular Properties

Compound Name8-butyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-1,7-dione
PubChem CID53482684
Molecular FormulaC19H23F3N2O3
Molecular Weight384.40 g/mol
Exact Mass384.17
IUPAC Name8-butyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-1,7-dione
SMILESCCCCN1CCC2(CCN(c3ccc(OC(F)(F)F)cc3)C2=O)CC1=O
InChIInChI=1S/C19H23F3N2O3/c1-2-3-10-23-11-8-18(13-16(23)25)9-12-24(17(18)26)14-4-6-15(7-5-14)27-19(20,21)22/h4-7H,2-3,8-13H2,1H3
InChIKeyWXTJHBIVQBRVCS-UHFFFAOYSA-N
XLogP3.73
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R,7R,8R)-8-hydroxy-7-propoxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one
CID 66546654
2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one
CID 141342179
N-methyl-1-oxo-N-pentyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 59578093
(5R,7R,8R)-7-ethoxy-8-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one
CID 66546472
2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 66742759
1-oxo-N-propyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 59578009
8-benzyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 53233981
(5R,7R,8R)-8-hydroxy-7-(2,2,2-trifluoroethoxy)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one
CID 66546473
8-(3-hydroxy-3-methylpentanoyl)-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 59577958
8-(2,6-difluorophenyl)-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 56655612
8-(2-cyclobutylacetyl)-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 59577965
N-(4-chlorophenyl)-N-ethyl-1-oxo-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 59578017

Frequently Asked Questions

What is the IUPAC name of 8-butyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-1,7-dione?
The IUPAC name of 8-butyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-1,7-dione (CID 53482684) is 8-butyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-1,7-dione.
What is the SMILES notation for 8-butyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-1,7-dione?
The canonical SMILES for 8-butyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-1,7-dione is CCCCN1CCC2(CCN(c3ccc(OC(F)(F)F)cc3)C2=O)CC1=O.
What is the InChIKey of 8-butyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-1,7-dione?
The InChIKey is WXTJHBIVQBRVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O3/c1-2-3-10-23-11-8-18(13-16(23)25)9-12-24(17(18)26)14-4-6-15(7-5-14)27-19(20,21)22/h4-7H,2-3,8-13H2,1H3.
What are the key properties of 8-butyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-1,7-dione?
8-butyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-1,7-dione has a molecular weight of 384.40 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-1,7-dione is sourced from PubChem (CID 53482684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).