7-methyl-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide

C20H25F3N2O3 — CID 136581599

IUPAC7-methyl-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESCC1CN(C(=O)NC2CC(c3cccc(C(F)(F)F)c3)C2)CC2(CCOC2)O1
InChIInChI=1S/C20H25F3N2O3/c1-13-10-25(11-19(28-13)5-6-27-12-19)18(26)24-17-8-15(9-17)14-3-2-4-16(7-14)20(21,22)23/h2-4,7,13,15,17H,5-6,8-12H2,1H3,(H,24,26)
InChIKeyLLOLNBAQVQTJEI-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.54
Rot. Bonds2

About 7-methyl-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide

7-methyl-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide (PubChem CID 136581599) has the molecular formula C20H25F3N2O3 and a molecular weight of 398.43 g/mol. Its IUPAC name is 7-methyl-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
PubChem CID136581599
Molecular FormulaC20H25F3N2O3
Molecular Weight398.43 g/mol
Exact Mass398.18
IUPAC Name7-methyl-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESCC1CN(C(=O)NC2CC(c3cccc(C(F)(F)F)c3)C2)CC2(CCOC2)O1
InChIInChI=1S/C20H25F3N2O3/c1-13-10-25(11-19(28-13)5-6-27-12-19)18(26)24-17-8-15(9-17)14-3-2-4-16(7-14)20(21,22)23/h2-4,7,13,15,17H,5-6,8-12H2,1H3,(H,24,26)
InChIKeyLLOLNBAQVQTJEI-UHFFFAOYSA-N
XLogP3.54
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-methyl-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide with MolForge

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Related Compounds

N-[rac-(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]hept-6-yl]morpholine-4-carboxamide
CID 91769280
1-(4-Hydroxyoxolan-3-yl)-3-[3-[2-(trifluoromethyl)phenyl]butan-2-yl]urea
CID 84597861
2-(methoxymethyl)-6-methyl-N-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]morpholine-4-carboxamide
CID 132384942
(2S)-N-(3-phenylcyclobutyl)-2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
CID 164637390
3-(morpholin-4-ylmethyl)-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 42863888
3-(morpholin-4-ylmethyl)-N-prop-2-enyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 42863889
3-ethoxy-N-[1-(2-fluorophenyl)propan-2-yl]piperidine-1-carboxamide
CID 47758109
1-(1,4-Dioxan-2-ylmethyl)-3-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]urea
CID 47766713
N-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide
CID 71867561
N-[1-(3-fluorophenyl)propan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide
CID 71990031
N-[2-(2,4-difluorophenyl)cyclopropyl]-2-(methoxymethyl)morpholine-4-carboxamide
CID 71990089
N-[3-(3-fluorophenyl)propyl]-2-(methoxymethyl)morpholine-4-carboxamide
CID 71990180

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide?
The IUPAC name of 7-methyl-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide (CID 136581599) is 7-methyl-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for 7-methyl-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for 7-methyl-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide is CC1CN(C(=O)NC2CC(c3cccc(C(F)(F)F)c3)C2)CC2(CCOC2)O1.
What is the InChIKey of 7-methyl-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide?
The InChIKey is LLOLNBAQVQTJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N2O3/c1-13-10-25(11-19(28-13)5-6-27-12-19)18(26)24-17-8-15(9-17)14-3-2-4-16(7-14)20(21,22)23/h2-4,7,13,15,17H,5-6,8-12H2,1H3,(H,24,26).
What are the key properties of 7-methyl-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide?
7-methyl-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide has a molecular weight of 398.43 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 136581599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).