2,2-dimethyl-N-[(7R)-5-methyl-5-azaspiro[2.4]heptan-7-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide

C18H24F3N3O3 — CID 146402453

IUPAC2,2-dimethyl-N-[(7R)-5-methyl-5-azaspiro[2.4]heptan-7-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
SMILESCN1C[C@H](NC(=O)C(C)(C)COc2ncccc2OC(F)(F)F)C2(CC2)C1
InChIInChI=1S/C18H24F3N3O3/c1-16(2,15(25)23-13-9-24(3)10-17(13)6-7-17)11-26-14-12(5-4-8-22-14)27-18(19,20)21/h4-5,8,13H,6-7,9-11H2,1-3H3,(H,23,25)/t13-/m0/s1
InChIKeyMLRFRFMLBSEBMO-ZDUSSCGKSA-N
MW387.40 g/mol
LogP2.60
Rot. Bonds6

About 2,2-dimethyl-N-[(7R)-5-methyl-5-azaspiro[2.4]heptan-7-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide

2,2-dimethyl-N-[(7R)-5-methyl-5-azaspiro[2.4]heptan-7-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide (PubChem CID 146402453) has the molecular formula C18H24F3N3O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(7R)-5-methyl-5-azaspiro[2.4]heptan-7-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(7R)-5-methyl-5-azaspiro[2.4]heptan-7-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
PubChem CID146402453
Molecular FormulaC18H24F3N3O3
Molecular Weight387.40 g/mol
Exact Mass387.18
IUPAC Name2,2-dimethyl-N-[(7R)-5-methyl-5-azaspiro[2.4]heptan-7-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
SMILESCN1C[C@H](NC(=O)C(C)(C)COc2ncccc2OC(F)(F)F)C2(CC2)C1
InChIInChI=1S/C18H24F3N3O3/c1-16(2,15(25)23-13-9-24(3)10-17(13)6-7-17)11-26-14-12(5-4-8-22-14)27-18(19,20)21/h4-5,8,13H,6-7,9-11H2,1-3H3,(H,23,25)/t13-/m0/s1
InChIKeyMLRFRFMLBSEBMO-ZDUSSCGKSA-N
XLogP2.60
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(7R)-5-methyl-5-azaspiro[2.4]heptan-7-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(7R)-5-methyl-5-azaspiro[2.4]heptan-7-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide (CID 146402453) is 2,2-dimethyl-N-[(7R)-5-methyl-5-azaspiro[2.4]heptan-7-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(7R)-5-methyl-5-azaspiro[2.4]heptan-7-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(7R)-5-methyl-5-azaspiro[2.4]heptan-7-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide is CN1C[C@H](NC(=O)C(C)(C)COc2ncccc2OC(F)(F)F)C2(CC2)C1.
What is the InChIKey of 2,2-dimethyl-N-[(7R)-5-methyl-5-azaspiro[2.4]heptan-7-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The InChIKey is MLRFRFMLBSEBMO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24F3N3O3/c1-16(2,15(25)23-13-9-24(3)10-17(13)6-7-17)11-26-14-12(5-4-8-22-14)27-18(19,20)21/h4-5,8,13H,6-7,9-11H2,1-3H3,(H,23,25)/t13-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[(7R)-5-methyl-5-azaspiro[2.4]heptan-7-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
2,2-dimethyl-N-[(7R)-5-methyl-5-azaspiro[2.4]heptan-7-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide has a molecular weight of 387.40 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(7R)-5-methyl-5-azaspiro[2.4]heptan-7-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 146402453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).