N-(2-aminoethyl)-2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

C12H21F3N2O2 — CID 107493489

IUPACN-(2-aminoethyl)-2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)N(CCN)CC(F)(F)F)C1C
InChIInChI=1S/C12H21F3N2O2/c1-7-8(2)19-9(3)10(7)11(18)17(5-4-16)6-12(13,14)15/h7-10H,4-6,16H2,1-3H3
InChIKeyUMRDBRACKNCUPY-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.40
Rot. Bonds4

About N-(2-aminoethyl)-2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

N-(2-aminoethyl)-2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (PubChem CID 107493489) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
PubChem CID107493489
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC NameN-(2-aminoethyl)-2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)N(CCN)CC(F)(F)F)C1C
InChIInChI=1S/C12H21F3N2O2/c1-7-8(2)19-9(3)10(7)11(18)17(5-4-16)6-12(13,14)15/h7-10H,4-6,16H2,1-3H3
InChIKeyUMRDBRACKNCUPY-UHFFFAOYSA-N
XLogP1.40
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (CID 107493489) is N-(2-aminoethyl)-2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is CC1OC(C)C(C(=O)N(CCN)CC(F)(F)F)C1C.
What is the InChIKey of N-(2-aminoethyl)-2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The InChIKey is UMRDBRACKNCUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-7-8(2)19-9(3)10(7)11(18)17(5-4-16)6-12(13,14)15/h7-10H,4-6,16H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
N-(2-aminoethyl)-2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is sourced from PubChem (CID 107493489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).