8-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1-oxa-8-azaspiro[4.5]decane-3,8-dicarboxamide

C19H24F3N3O3 — CID 155958084

IUPAC8-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1-oxa-8-azaspiro[4.5]decane-3,8-dicarboxamide
SMILESC[C@@H](NC(=O)N1CCC2(CC1)CC(C(N)=O)CO2)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H24F3N3O3/c1-12(13-2-4-15(5-3-13)19(20,21)22)24-17(27)25-8-6-18(7-9-25)10-14(11-28-18)16(23)26/h2-5,12,14H,6-11H2,1H3,(H2,23,26)(H,24,27)/t12-,14?/m1/s1
InChIKeyBDTCVSXISSMIJG-PUODRLBUSA-N
MW399.41 g/mol
LogP2.83
Rot. Bonds3

About 8-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1-oxa-8-azaspiro[4.5]decane-3,8-dicarboxamide

8-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1-oxa-8-azaspiro[4.5]decane-3,8-dicarboxamide (PubChem CID 155958084) has the molecular formula C19H24F3N3O3 and a molecular weight of 399.41 g/mol. Its IUPAC name is 8-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1-oxa-8-azaspiro[4.5]decane-3,8-dicarboxamide.

Molecular Properties

Compound Name8-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1-oxa-8-azaspiro[4.5]decane-3,8-dicarboxamide
PubChem CID155958084
Molecular FormulaC19H24F3N3O3
Molecular Weight399.41 g/mol
Exact Mass399.18
IUPAC Name8-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1-oxa-8-azaspiro[4.5]decane-3,8-dicarboxamide
SMILESC[C@@H](NC(=O)N1CCC2(CC1)CC(C(N)=O)CO2)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H24F3N3O3/c1-12(13-2-4-15(5-3-13)19(20,21)22)24-17(27)25-8-6-18(7-9-25)10-14(11-28-18)16(23)26/h2-5,12,14H,6-11H2,1H3,(H2,23,26)(H,24,27)/t12-,14?/m1/s1
InChIKeyBDTCVSXISSMIJG-PUODRLBUSA-N
XLogP2.83
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1-oxa-8-azaspiro[4.5]decane-3,8-dicarboxamide with MolForge

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Related Compounds

5-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,4-diazepane-1-carboxamide
CID 95977879
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CID 122011408
(3aS,6aR)-2-[[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122011419
1-N-[(1S)-1-(4-propan-2-ylsulfanylphenyl)ethyl]piperidine-1,4-dicarboxamide
CID 95347473
N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide
CID 154758708
ethyl 4-[1-[4-(trifluoromethyl)phenyl]ethylcarbamoyl]piperidine-1-carboxylate
CID 46448992
1-amino-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119280379
N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide
CID 37354931
N-(1-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108988776
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-1-carboxamide
CID 94647353
N-[1-(4-propan-2-ylphenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 43055424
1-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of 8-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1-oxa-8-azaspiro[4.5]decane-3,8-dicarboxamide?
The IUPAC name of 8-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1-oxa-8-azaspiro[4.5]decane-3,8-dicarboxamide (CID 155958084) is 8-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1-oxa-8-azaspiro[4.5]decane-3,8-dicarboxamide.
What is the SMILES notation for 8-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1-oxa-8-azaspiro[4.5]decane-3,8-dicarboxamide?
The canonical SMILES for 8-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1-oxa-8-azaspiro[4.5]decane-3,8-dicarboxamide is C[C@@H](NC(=O)N1CCC2(CC1)CC(C(N)=O)CO2)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 8-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1-oxa-8-azaspiro[4.5]decane-3,8-dicarboxamide?
The InChIKey is BDTCVSXISSMIJG-PUODRLBUSA-N. The full InChI is InChI=1S/C19H24F3N3O3/c1-12(13-2-4-15(5-3-13)19(20,21)22)24-17(27)25-8-6-18(7-9-25)10-14(11-28-18)16(23)26/h2-5,12,14H,6-11H2,1H3,(H2,23,26)(H,24,27)/t12-,14?/m1/s1.
What are the key properties of 8-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1-oxa-8-azaspiro[4.5]decane-3,8-dicarboxamide?
8-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1-oxa-8-azaspiro[4.5]decane-3,8-dicarboxamide has a molecular weight of 399.41 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1-oxa-8-azaspiro[4.5]decane-3,8-dicarboxamide is sourced from PubChem (CID 155958084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).