2-(1-aminocyclopentyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)acetamide

C13H22F3N3O2 — CID 64676720

IUPAC2-(1-aminocyclopentyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)CC1(N)CCCC1
InChIInChI=1S/C13H22F3N3O2/c1-18(2)11(21)8-19(9-13(14,15)16)10(20)7-12(17)5-3-4-6-12/h3-9,17H2,1-2H3
InChIKeyAHJYOAIIQRZIFM-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.13
Rot. Bonds5

About 2-(1-aminocyclopentyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)acetamide

2-(1-aminocyclopentyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 64676720) has the molecular formula C13H22F3N3O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID64676720
Molecular FormulaC13H22F3N3O2
Molecular Weight309.33 g/mol
Exact Mass309.17
IUPAC Name2-(1-aminocyclopentyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)CC1(N)CCCC1
InChIInChI=1S/C13H22F3N3O2/c1-18(2)11(21)8-19(9-13(14,15)16)10(20)7-12(17)5-3-4-6-12/h3-9,17H2,1-2H3
InChIKeyAHJYOAIIQRZIFM-UHFFFAOYSA-N
XLogP1.13
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(1-aminocyclopentyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)acetamide (CID 64676720) is 2-(1-aminocyclopentyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclopentyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(1-aminocyclopentyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)acetamide is CN(C)C(=O)CN(CC(F)(F)F)C(=O)CC1(N)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is AHJYOAIIQRZIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O2/c1-18(2)11(21)8-19(9-13(14,15)16)10(20)7-12(17)5-3-4-6-12/h3-9,17H2,1-2H3.
What are the key properties of 2-(1-aminocyclopentyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)acetamide?
2-(1-aminocyclopentyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 309.33 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 64676720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).