2-[methyl(oxan-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide

C12H21F3N2O2 — CID 75385905

IUPAC2-[methyl(oxan-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)NCC(F)(F)F)N(C)CC1CCCCO1
InChIInChI=1S/C12H21F3N2O2/c1-9(11(18)16-8-12(13,14)15)17(2)7-10-5-3-4-6-19-10/h9-10H,3-8H2,1-2H3,(H,16,18)
InChIKeyUMGFQTBMGKDCLS-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.55
Rot. Bonds5

About 2-[methyl(oxan-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide

2-[methyl(oxan-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 75385905) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[methyl(oxan-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[methyl(oxan-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID75385905
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2-[methyl(oxan-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)NCC(F)(F)F)N(C)CC1CCCCO1
InChIInChI=1S/C12H21F3N2O2/c1-9(11(18)16-8-12(13,14)15)17(2)7-10-5-3-4-6-19-10/h9-10H,3-8H2,1-2H3,(H,16,18)
InChIKeyUMGFQTBMGKDCLS-UHFFFAOYSA-N
XLogP1.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxan-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[methyl(oxan-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 75385905) is 2-[methyl(oxan-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[methyl(oxan-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[methyl(oxan-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide is CC(C(=O)NCC(F)(F)F)N(C)CC1CCCCO1.
What is the InChIKey of 2-[methyl(oxan-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is UMGFQTBMGKDCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-9(11(18)16-8-12(13,14)15)17(2)7-10-5-3-4-6-19-10/h9-10H,3-8H2,1-2H3,(H,16,18).
What are the key properties of 2-[methyl(oxan-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[methyl(oxan-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 282.31 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxan-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 75385905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).