N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide

C20H24F3NO3 — CID 99811328

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
SMILESO=C(NC1CCC2(CC1)OCCO2)C1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C20H24F3NO3/c21-20(22,23)15-4-1-3-14(13-15)18(7-2-8-18)17(25)24-16-5-9-19(10-6-16)26-11-12-27-19/h1,3-4,13,16H,2,5-12H2,(H,24,25)
InChIKeyAVZNQXDZZXGTNN-UHFFFAOYSA-N
MW383.41 g/mol
LogP3.93
Rot. Bonds3

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide

N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide (PubChem CID 99811328) has the molecular formula C20H24F3NO3 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
PubChem CID99811328
Molecular FormulaC20H24F3NO3
Molecular Weight383.41 g/mol
Exact Mass383.17
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
SMILESO=C(NC1CCC2(CC1)OCCO2)C1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C20H24F3NO3/c21-20(22,23)15-4-1-3-14(13-15)18(7-2-8-18)17(25)24-16-5-9-19(10-6-16)26-11-12-27-19/h1,3-4,13,16H,2,5-12H2,(H,24,25)
InChIKeyAVZNQXDZZXGTNN-UHFFFAOYSA-N
XLogP3.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide (CID 99811328) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide is O=C(NC1CCC2(CC1)OCCO2)C1(c2cccc(C(F)(F)F)c2)CCC1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide?
The InChIKey is AVZNQXDZZXGTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3NO3/c21-20(22,23)15-4-1-3-14(13-15)18(7-2-8-18)17(25)24-16-5-9-19(10-6-16)26-11-12-27-19/h1,3-4,13,16H,2,5-12H2,(H,24,25).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 99811328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).