[5-[[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

C27H33F3N2O4 — CID 5199730

IUPAC[5-[[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1ccc(CN(Cc2cccc(C(F)(F)F)c2)C2CCCCC2)o1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C27H33F3N2O4/c28-27(29,30)21-6-4-5-20(17-21)18-32(22-7-2-1-3-8-22)19-23-9-10-24(36-23)25(33)31-13-11-26(12-14-31)34-15-16-35-26/h4-6,9-10,17,22H,1-3,7-8,11-16,18-19H2
InChIKeyCUTVCMMSLQMUQK-UHFFFAOYSA-N
MW506.57 g/mol
LogP5.61
Rot. Bonds6

About [5-[[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

[5-[[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 5199730) has the molecular formula C27H33F3N2O4 and a molecular weight of 506.57 g/mol. Its IUPAC name is [5-[[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name[5-[[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID5199730
Molecular FormulaC27H33F3N2O4
Molecular Weight506.57 g/mol
Exact Mass506.24
IUPAC Name[5-[[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1ccc(CN(Cc2cccc(C(F)(F)F)c2)C2CCCCC2)o1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C27H33F3N2O4/c28-27(29,30)21-6-4-5-20(17-21)18-32(22-7-2-1-3-8-22)19-23-9-10-24(36-23)25(33)31-13-11-26(12-14-31)34-15-16-35-26/h4-6,9-10,17,22H,1-3,7-8,11-16,18-19H2
InChIKeyCUTVCMMSLQMUQK-UHFFFAOYSA-N
XLogP5.61
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.57
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-[[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone with MolForge

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Related Compounds

[5-[[benzyl(cyclohexyl)amino]methyl]furan-2-yl]-morpholin-4-ylmethanone
CID 5198933
ethyl 4-[5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperazine-1-carboxylate
CID 3528580
1-[4-[5-[[(4-bromophenyl)methyl-cyclohexylamino]methyl]furan-2-carbonyl]piperazin-1-yl]ethanone
CID 42750851
[5-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 3610245
3-[1-[5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 3940788
[5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42750820
3-[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-1,1,1-trifluoropropan-2-ol
CID 10177110
2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46077346
N-butan-2-yl-5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxamide
CID 3652203
[3,5-dimethyl-4-morpholin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 3499353
[5-(benzenesulfonylmethyl)furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 3242171
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-yl]methanone
CID 21046343

Frequently Asked Questions

What is the IUPAC name of [5-[[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of [5-[[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 5199730) is [5-[[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for [5-[[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for [5-[[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is O=C(c1ccc(CN(Cc2cccc(C(F)(F)F)c2)C2CCCCC2)o1)N1CCC2(CC1)OCCO2.
What is the InChIKey of [5-[[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is CUTVCMMSLQMUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33F3N2O4/c28-27(29,30)21-6-4-5-20(17-21)18-32(22-7-2-1-3-8-22)19-23-9-10-24(36-23)25(33)31-13-11-26(12-14-31)34-15-16-35-26/h4-6,9-10,17,22H,1-3,7-8,11-16,18-19H2.
What are the key properties of [5-[[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
[5-[[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 506.57 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 5199730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).