N-[3-(trifluoromethyl)phenyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxamide

C16H19F3N2O2 — CID 678764

IUPACN-[3-(trifluoromethyl)phenyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CCOC12CCCCC2
InChIInChI=1S/C16H19F3N2O2/c17-16(18,19)12-5-4-6-13(11-12)20-14(22)21-9-10-23-15(21)7-2-1-3-8-15/h4-6,11H,1-3,7-10H2,(H,20,22)
InChIKeyKDKSIQBAMZRWFM-UHFFFAOYSA-N
MW328.33 g/mol
LogP4.23
Rot. Bonds1

About N-[3-(trifluoromethyl)phenyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxamide

N-[3-(trifluoromethyl)phenyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxamide (PubChem CID 678764) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxamide
PubChem CID678764
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC NameN-[3-(trifluoromethyl)phenyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CCOC12CCCCC2
InChIInChI=1S/C16H19F3N2O2/c17-16(18,19)12-5-4-6-13(11-12)20-14(22)21-9-10-23-15(21)7-2-1-3-8-15/h4-6,11H,1-3,7-10H2,(H,20,22)
InChIKeyKDKSIQBAMZRWFM-UHFFFAOYSA-N
XLogP4.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxamide (CID 678764) is N-[3-(trifluoromethyl)phenyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)N1CCOC12CCCCC2.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is KDKSIQBAMZRWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O2/c17-16(18,19)12-5-4-6-13(11-12)20-14(22)21-9-10-23-15(21)7-2-1-3-8-15/h4-6,11H,1-3,7-10H2,(H,20,22).
What are the key properties of N-[3-(trifluoromethyl)phenyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxamide?
N-[3-(trifluoromethyl)phenyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 328.33 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 678764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).