N-(2-amino-1-cyclopropylethyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide

C16H26F3N3O2 — CID 128823706

IUPACN-(2-amino-1-cyclopropylethyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
SMILESNCC(NC(=O)N1CCC(C(F)(F)F)C2(CCOCC2)C1)C1CC1
InChIInChI=1S/C16H26F3N3O2/c17-16(18,19)13-3-6-22(10-15(13)4-7-24-8-5-15)14(23)21-12(9-20)11-1-2-11/h11-13H,1-10,20H2,(H,21,23)
InChIKeyZZASDBFOAKYRFA-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.11
Rot. Bonds3

About N-(2-amino-1-cyclopropylethyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide

N-(2-amino-1-cyclopropylethyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide (PubChem CID 128823706) has the molecular formula C16H26F3N3O2 and a molecular weight of 349.40 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
PubChem CID128823706
Molecular FormulaC16H26F3N3O2
Molecular Weight349.40 g/mol
Exact Mass349.20
IUPAC NameN-(2-amino-1-cyclopropylethyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
SMILESNCC(NC(=O)N1CCC(C(F)(F)F)C2(CCOCC2)C1)C1CC1
InChIInChI=1S/C16H26F3N3O2/c17-16(18,19)13-3-6-22(10-15(13)4-7-24-8-5-15)14(23)21-12(9-20)11-1-2-11/h11-13H,1-10,20H2,(H,21,23)
InChIKeyZZASDBFOAKYRFA-UHFFFAOYSA-N
XLogP2.11
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide (CID 128823706) is N-(2-amino-1-cyclopropylethyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide is NCC(NC(=O)N1CCC(C(F)(F)F)C2(CCOCC2)C1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
The InChIKey is ZZASDBFOAKYRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3N3O2/c17-16(18,19)13-3-6-22(10-15(13)4-7-24-8-5-15)14(23)21-12(9-20)11-1-2-11/h11-13H,1-10,20H2,(H,21,23).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
N-(2-amino-1-cyclopropylethyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide has a molecular weight of 349.40 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide is sourced from PubChem (CID 128823706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).