N-(cyclopropylmethyl)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid

C20H27F3N2O5 — CID 155850234

IUPACN-(cyclopropylmethyl)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCC1CC1)C1CCC2(CCN(Cc3ccoc3)CC2)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H26N2O3.C2HF3O2/c21-17(19-11-14-1-2-14)16-3-5-18(23-16)6-8-20(9-7-18)12-15-4-10-22-13-15;3-2(4,5)1(6)7/h4,10,13-14,16H,1-3,5-9,11-12H2,(H,19,21);(H,6,7)
InChIKeyZETXYJRKXIJSNU-UHFFFAOYSA-N
MW432.44 g/mol
LogP2.95
Rot. Bonds5

About N-(cyclopropylmethyl)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid

N-(cyclopropylmethyl)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155850234) has the molecular formula C20H27F3N2O5 and a molecular weight of 432.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155850234
Molecular FormulaC20H27F3N2O5
Molecular Weight432.44 g/mol
Exact Mass432.19
IUPAC NameN-(cyclopropylmethyl)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCC1CC1)C1CCC2(CCN(Cc3ccoc3)CC2)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H26N2O3.C2HF3O2/c21-17(19-11-14-1-2-14)16-3-5-18(23-16)6-8-20(9-7-18)12-15-4-10-22-13-15;3-2(4,5)1(6)7/h4,10,13-14,16H,1-3,5-9,11-12H2,(H,19,21);(H,6,7)
InChIKeyZETXYJRKXIJSNU-UHFFFAOYSA-N
XLogP2.95
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 134076793
(2R)-N-(cyclopropylmethyl)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 97383812
(2S)-N-(cyclopropylmethyl)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 97383821
N-(cyclopropylmethyl)-1'-(furan-3-ylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146069582
8-(furan-3-ylmethyl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 155847498
(2R)-N-(cyclopropylmethyl)-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 97383839
2-[3-(furan-3-ylmethyl)-3-azaspiro[5.5]undecan-9-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155829320
2-[3-(furan-3-ylmethyl)-3-azaspiro[5.5]undecan-9-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid
CID 155853693
N-(cyclopropylmethyl)-1'-[(4-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155851979
7-(furan-3-ylmethyl)-2-methyl-1-phenyl-2,7-diazaspiro[3.5]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155837734
(2S)-N,8-bis(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 97422219
[8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 155832672

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(cyclopropylmethyl)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid (CID 155850234) is N-(cyclopropylmethyl)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(cyclopropylmethyl)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(cyclopropylmethyl)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid is O=C(NCC1CC1)C1CCC2(CCN(Cc3ccoc3)CC2)O1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(cyclopropylmethyl)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is ZETXYJRKXIJSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3.C2HF3O2/c21-17(19-11-14-1-2-14)16-3-5-18(23-16)6-8-20(9-7-18)12-15-4-10-22-13-15;3-2(4,5)1(6)7/h4,10,13-14,16H,1-3,5-9,11-12H2,(H,19,21);(H,6,7).
What are the key properties of N-(cyclopropylmethyl)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid?
N-(cyclopropylmethyl)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 432.44 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155850234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).