N-[[8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-8-yl]methyl]-4-(trifluoromethyl)benzamide

C19H25F3N2O3 — CID 13052044

IUPACN-[[8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-8-yl]methyl]-4-(trifluoromethyl)benzamide
SMILESCN(C)C1(CNC(=O)c2ccc(C(F)(F)F)cc2)CCC2(CC1)OCCO2
InChIInChI=1S/C19H25F3N2O3/c1-24(2)17(7-9-18(10-8-17)26-11-12-27-18)13-23-16(25)14-3-5-15(6-4-14)19(20,21)22/h3-6H,7-13H2,1-2H3,(H,23,25)
InChIKeyBGWPQXKZXMCINX-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.05
Rot. Bonds4

About N-[[8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-8-yl]methyl]-4-(trifluoromethyl)benzamide

N-[[8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-8-yl]methyl]-4-(trifluoromethyl)benzamide (PubChem CID 13052044) has the molecular formula C19H25F3N2O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-[[8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-8-yl]methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-8-yl]methyl]-4-(trifluoromethyl)benzamide
PubChem CID13052044
Molecular FormulaC19H25F3N2O3
Molecular Weight386.41 g/mol
Exact Mass386.18
IUPAC NameN-[[8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-8-yl]methyl]-4-(trifluoromethyl)benzamide
SMILESCN(C)C1(CNC(=O)c2ccc(C(F)(F)F)cc2)CCC2(CC1)OCCO2
InChIInChI=1S/C19H25F3N2O3/c1-24(2)17(7-9-18(10-8-17)26-11-12-27-18)13-23-16(25)14-3-5-15(6-4-14)19(20,21)22/h3-6H,7-13H2,1-2H3,(H,23,25)
InChIKeyBGWPQXKZXMCINX-UHFFFAOYSA-N
XLogP3.05
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-8-yl]methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[[8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-8-yl]methyl]-4-(trifluoromethyl)benzamide (CID 13052044) is N-[[8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-8-yl]methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-8-yl]methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-8-yl]methyl]-4-(trifluoromethyl)benzamide is CN(C)C1(CNC(=O)c2ccc(C(F)(F)F)cc2)CCC2(CC1)OCCO2.
What is the InChIKey of N-[[8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-8-yl]methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is BGWPQXKZXMCINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O3/c1-24(2)17(7-9-18(10-8-17)26-11-12-27-18)13-23-16(25)14-3-5-15(6-4-14)19(20,21)22/h3-6H,7-13H2,1-2H3,(H,23,25).
What are the key properties of N-[[8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-8-yl]methyl]-4-(trifluoromethyl)benzamide?
N-[[8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-8-yl]methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 386.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-8-yl]methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 13052044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).