8-propan-2-yl-N-(2-thiophen-2-ylethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid

C20H29F3N2O4S — CID 155850378

IUPAC8-propan-2-yl-N-(2-thiophen-2-ylethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CCC2(CCC(C(=O)NCCc3cccs3)O2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H28N2O2S.C2HF3O2/c1-14(2)20-11-8-18(9-12-20)7-5-16(22-18)17(21)19-10-6-15-4-3-13-23-15;3-2(4,5)1(6)7/h3-4,13-14,16H,5-12H2,1-2H3,(H,19,21);(H,6,7)
InChIKeyHFZCYAKHSOUPHN-UHFFFAOYSA-N
MW450.52 g/mol
LogP3.46
Rot. Bonds5

About 8-propan-2-yl-N-(2-thiophen-2-ylethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid

8-propan-2-yl-N-(2-thiophen-2-ylethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155850378) has the molecular formula C20H29F3N2O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is 8-propan-2-yl-N-(2-thiophen-2-ylethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name8-propan-2-yl-N-(2-thiophen-2-ylethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155850378
Molecular FormulaC20H29F3N2O4S
Molecular Weight450.52 g/mol
Exact Mass450.18
IUPAC Name8-propan-2-yl-N-(2-thiophen-2-ylethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CCC2(CCC(C(=O)NCCc3cccs3)O2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H28N2O2S.C2HF3O2/c1-14(2)20-11-8-18(9-12-20)7-5-16(22-18)17(21)19-10-6-15-4-3-13-23-15;3-2(4,5)1(6)7/h3-4,13-14,16H,5-12H2,1-2H3,(H,19,21);(H,6,7)
InChIKeyHFZCYAKHSOUPHN-UHFFFAOYSA-N
XLogP3.46
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-propan-2-yl-N-(2-thiophen-2-ylethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

8-propan-2-yl-N-(2-thiophen-2-ylethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 131658697
4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784485
N,N-dimethyl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 131657633
1-(2-hydroxy-2-methylpropyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 110932610
(4S)-3,3-dimethyl-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 124855638
N-(cyclopropylmethyl)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155850234
1-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134654
1-[(2S)-2-amino-3-methylbutanoyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 119308575
1-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134656
N-(1-propan-2-ylpiperidin-4-yl)-3-thiophen-2-ylpropanamide
CID 110751959
(1S)-2,2,6-trimethyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 161110122
1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea
CID 59684905

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-N-(2-thiophen-2-ylethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 8-propan-2-yl-N-(2-thiophen-2-ylethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid (CID 155850378) is 8-propan-2-yl-N-(2-thiophen-2-ylethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 8-propan-2-yl-N-(2-thiophen-2-ylethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 8-propan-2-yl-N-(2-thiophen-2-ylethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid is CC(C)N1CCC2(CCC(C(=O)NCCc3cccs3)O2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 8-propan-2-yl-N-(2-thiophen-2-ylethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is HFZCYAKHSOUPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S.C2HF3O2/c1-14(2)20-11-8-18(9-12-20)7-5-16(22-18)17(21)19-10-6-15-4-3-13-23-15;3-2(4,5)1(6)7/h3-4,13-14,16H,5-12H2,1-2H3,(H,19,21);(H,6,7).
What are the key properties of 8-propan-2-yl-N-(2-thiophen-2-ylethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid?
8-propan-2-yl-N-(2-thiophen-2-ylethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 450.52 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-N-(2-thiophen-2-ylethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155850378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).