N-cyclopropyl-N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide

C12H19F3N2O2 — CID 78957853

IUPACN-cyclopropyl-N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)N(CC1CCOC1)C1CC1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)8-16-5-11(18)17(10-1-2-10)6-9-3-4-19-7-9/h9-10,16H,1-8H2
InChIKeyJNCBMCPGQMYKPU-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.17
Rot. Bonds6

About N-cyclopropyl-N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-cyclopropyl-N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78957853) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-cyclopropyl-N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78957853
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC NameN-cyclopropyl-N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)N(CC1CCOC1)C1CC1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)8-16-5-11(18)17(10-1-2-10)6-9-3-4-19-7-9/h9-10,16H,1-8H2
InChIKeyJNCBMCPGQMYKPU-UHFFFAOYSA-N
XLogP1.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-cyclopropyl-N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78957853) is N-cyclopropyl-N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-cyclopropyl-N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-cyclopropyl-N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)N(CC1CCOC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is JNCBMCPGQMYKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c13-12(14,15)8-16-5-11(18)17(10-1-2-10)6-9-3-4-19-7-9/h9-10,16H,1-8H2.
What are the key properties of N-cyclopropyl-N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-cyclopropyl-N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 280.29 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78957853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).