4-methyl-N-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide

C17H22F3N3O2 — CID 138386808

IUPAC4-methyl-N-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCN1CCOC2(CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)C1
InChIInChI=1S/C17H22F3N3O2/c1-22-9-10-25-16(12-22)5-7-23(8-6-16)15(24)21-14-4-2-3-13(11-14)17(18,19)20/h2-4,11H,5-10,12H2,1H3,(H,21,24)
InChIKeyZEMZNFRSWSMWOX-UHFFFAOYSA-N
MW357.38 g/mol
LogP3.03
Rot. Bonds1

About 4-methyl-N-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide

4-methyl-N-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide (PubChem CID 138386808) has the molecular formula C17H22F3N3O2 and a molecular weight of 357.38 g/mol. Its IUPAC name is 4-methyl-N-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
PubChem CID138386808
Molecular FormulaC17H22F3N3O2
Molecular Weight357.38 g/mol
Exact Mass357.17
IUPAC Name4-methyl-N-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCN1CCOC2(CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)C1
InChIInChI=1S/C17H22F3N3O2/c1-22-9-10-25-16(12-22)5-7-23(8-6-16)15(24)21-14-4-2-3-13(11-14)17(18,19)20/h2-4,11H,5-10,12H2,1H3,(H,21,24)
InChIKeyZEMZNFRSWSMWOX-UHFFFAOYSA-N
XLogP3.03
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide with MolForge

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Related Compounds

(5R)-N-[3-(trifluoromethyl)phenyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
CID 99822435
N-[3-(trifluoromethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
CID 90565791
N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 22614394
4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4251973
4-butyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17185768
(3aR,7aR)-2-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid
CID 154812106
2-hydroxy-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-phenylpropan-1-one
CID 162629771
ethyl 4-[[3-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate
CID 3784054
4-ethyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide
CID 7165092
4-(4-acetylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2210407
N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 162535440
3-acetamido-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 72862706

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of 4-methyl-N-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide (CID 138386808) is 4-methyl-N-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for 4-methyl-N-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide is CN1CCOC2(CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)C1.
What is the InChIKey of 4-methyl-N-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is ZEMZNFRSWSMWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O2/c1-22-9-10-25-16(12-22)5-7-23(8-6-16)15(24)21-14-4-2-3-13(11-14)17(18,19)20/h2-4,11H,5-10,12H2,1H3,(H,21,24).
What are the key properties of 4-methyl-N-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
4-methyl-N-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 357.38 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 138386808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).