N-[2-(dimethylamino)-2-oxoethyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide

C11H19F3N2O3 — CID 79203446

IUPACN-[2-(dimethylamino)-2-oxoethyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCC(O)CCC(=O)N(CC(=O)N(C)C)CC(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-8(17)4-5-9(18)16(7-11(12,13)14)6-10(19)15(2)3/h8,17H,4-7H2,1-3H3
InChIKeyATVRLVZRPPGILH-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.63
Rot. Bonds6

About N-[2-(dimethylamino)-2-oxoethyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide

N-[2-(dimethylamino)-2-oxoethyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 79203446) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID79203446
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCC(O)CCC(=O)N(CC(=O)N(C)C)CC(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-8(17)4-5-9(18)16(7-11(12,13)14)6-10(19)15(2)3/h8,17H,4-7H2,1-3H3
InChIKeyATVRLVZRPPGILH-UHFFFAOYSA-N
XLogP0.63
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide (CID 79203446) is N-[2-(dimethylamino)-2-oxoethyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide is CC(O)CCC(=O)N(CC(=O)N(C)C)CC(F)(F)F.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is ATVRLVZRPPGILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-8(17)4-5-9(18)16(7-11(12,13)14)6-10(19)15(2)3/h8,17H,4-7H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide?
N-[2-(dimethylamino)-2-oxoethyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 284.28 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 79203446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).