N,8-dimethyl-2-(2-methylfuran-3-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid

C17H22F3N3O6 — CID 155851811

IUPACN,8-dimethyl-2-(2-methylfuran-3-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)C1COC2(CN(C(=O)c3ccoc3C)C2)CN1C.O=C(O)C(F)(F)F
InChIInChI=1S/C15H21N3O4.C2HF3O2/c1-10-11(4-5-21-10)14(20)18-8-15(9-18)7-17(3)12(6-22-15)13(19)16-2;3-2(4,5)1(6)7/h4-5,12H,6-9H2,1-3H3,(H,16,19);(H,6,7)
InChIKeyVSIBNRUTCKLTCE-UHFFFAOYSA-N
MW421.37 g/mol
LogP0.49
Rot. Bonds2

About N,8-dimethyl-2-(2-methylfuran-3-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid

N,8-dimethyl-2-(2-methylfuran-3-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155851811) has the molecular formula C17H22F3N3O6 and a molecular weight of 421.37 g/mol. Its IUPAC name is N,8-dimethyl-2-(2-methylfuran-3-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,8-dimethyl-2-(2-methylfuran-3-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155851811
Molecular FormulaC17H22F3N3O6
Molecular Weight421.37 g/mol
Exact Mass421.15
IUPAC NameN,8-dimethyl-2-(2-methylfuran-3-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)C1COC2(CN(C(=O)c3ccoc3C)C2)CN1C.O=C(O)C(F)(F)F
InChIInChI=1S/C15H21N3O4.C2HF3O2/c1-10-11(4-5-21-10)14(20)18-8-15(9-18)7-17(3)12(6-22-15)13(19)16-2;3-2(4,5)1(6)7/h4-5,12H,6-9H2,1-3H3,(H,16,19);(H,6,7)
InChIKeyVSIBNRUTCKLTCE-UHFFFAOYSA-N
XLogP0.49
TPSA112.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.37
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N,8-dimethyl-2-(2-methylfuran-3-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131651832
2-N,2-N,7-N,8-tetramethyl-5-oxa-2,8-diazaspiro[3.5]nonane-2,7-dicarboxamide;2,2,2-trifluoroacetic acid
CID 155849523
2-(2-cyclopentylacetyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155825299
N,8-dimethyl-2-[(4-methylsulfonylphenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid
CID 171693377
N,8-dimethyl-2-(1H-pyrazole-5-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131693922
[(5R,9S)-9-(diethylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 155830535
(7R)-2-(5-chloro-1-benzofuran-2-carbonyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 124814985
2-(5-chloro-1-benzofuran-2-carbonyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131658487
2,2,2-trifluoroacetic acid;N,N,8-trimethyl-2-(3-methyl-1-benzofuran-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 155866753
1-[2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone
CID 97472652
2-(2-methoxyacetyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131693051
(2-methylfuran-3-yl)-[(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;2,2,2-trifluoroacetic acid
CID 127021945

Frequently Asked Questions

What is the IUPAC name of N,8-dimethyl-2-(2-methylfuran-3-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,8-dimethyl-2-(2-methylfuran-3-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid (CID 155851811) is N,8-dimethyl-2-(2-methylfuran-3-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,8-dimethyl-2-(2-methylfuran-3-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,8-dimethyl-2-(2-methylfuran-3-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid is CNC(=O)C1COC2(CN(C(=O)c3ccoc3C)C2)CN1C.O=C(O)C(F)(F)F.
What is the InChIKey of N,8-dimethyl-2-(2-methylfuran-3-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is VSIBNRUTCKLTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4.C2HF3O2/c1-10-11(4-5-21-10)14(20)18-8-15(9-18)7-17(3)12(6-22-15)13(19)16-2;3-2(4,5)1(6)7/h4-5,12H,6-9H2,1-3H3,(H,16,19);(H,6,7).
What are the key properties of N,8-dimethyl-2-(2-methylfuran-3-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid?
N,8-dimethyl-2-(2-methylfuran-3-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 421.37 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-dimethyl-2-(2-methylfuran-3-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155851811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).