N-[3-(trifluoromethoxy)phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide

C17H21F3N2O3 — CID 118771507

IUPACN-[3-(trifluoromethoxy)phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)N1CCCC2(CCOCC2)C1
InChIInChI=1S/C17H21F3N2O3/c18-17(19,20)25-14-4-1-3-13(11-14)21-15(23)22-8-2-5-16(12-22)6-9-24-10-7-16/h1,3-4,11H,2,5-10,12H2,(H,21,23)
InChIKeyYAMQVSDPBXSDJY-UHFFFAOYSA-N
MW358.36 g/mol
LogP4.01
Rot. Bonds2

About N-[3-(trifluoromethoxy)phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide

N-[3-(trifluoromethoxy)phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide (PubChem CID 118771507) has the molecular formula C17H21F3N2O3 and a molecular weight of 358.36 g/mol. Its IUPAC name is N-[3-(trifluoromethoxy)phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(trifluoromethoxy)phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
PubChem CID118771507
Molecular FormulaC17H21F3N2O3
Molecular Weight358.36 g/mol
Exact Mass358.15
IUPAC NameN-[3-(trifluoromethoxy)phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)N1CCCC2(CCOCC2)C1
InChIInChI=1S/C17H21F3N2O3/c18-17(19,20)25-14-4-1-3-13(11-14)21-15(23)22-8-2-5-16(12-22)6-9-24-10-7-16/h1,3-4,11H,2,5-10,12H2,(H,21,23)
InChIKeyYAMQVSDPBXSDJY-UHFFFAOYSA-N
XLogP4.01
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 172884750
8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[5.5]undecane-2-carboxamide
CID 71679837
4-(aminomethyl)-N-[3-(trifluoromethoxy)phenyl]oxane-4-carboxamide
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N-[3-[methyl(propan-2-yl)amino]phenyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 71992230
(5R)-N-[3-(trifluoromethyl)phenyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
CID 99822435
1-amino-N-[3-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide
CID 60867410
(3R)-3-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
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1-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea
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N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47193651
N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]-6-azaspiro[3.4]octane-6-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethoxy)phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
The IUPAC name of N-[3-(trifluoromethoxy)phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide (CID 118771507) is N-[3-(trifluoromethoxy)phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide.
What is the SMILES notation for N-[3-(trifluoromethoxy)phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
The canonical SMILES for N-[3-(trifluoromethoxy)phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide is O=C(Nc1cccc(OC(F)(F)F)c1)N1CCCC2(CCOCC2)C1.
What is the InChIKey of N-[3-(trifluoromethoxy)phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
The InChIKey is YAMQVSDPBXSDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O3/c18-17(19,20)25-14-4-1-3-13(11-14)21-15(23)22-8-2-5-16(12-22)6-9-24-10-7-16/h1,3-4,11H,2,5-10,12H2,(H,21,23).
What are the key properties of N-[3-(trifluoromethoxy)phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
N-[3-(trifluoromethoxy)phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide has a molecular weight of 358.36 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethoxy)phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide is sourced from PubChem (CID 118771507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).