N-(2-hydroxy-3-methoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide

C8H15F3N2O3 — CID 79261367

IUPACN-(2-hydroxy-3-methoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOCC(O)CNC(=O)CNCC(F)(F)F
InChIInChI=1S/C8H15F3N2O3/c1-16-4-6(14)2-13-7(15)3-12-5-8(9,10)11/h6,12,14H,2-5H2,1H3,(H,13,15)
InChIKeyREAKYLLCGHKVQP-UHFFFAOYSA-N
MW244.21 g/mol
LogP-0.74
Rot. Bonds7

About N-(2-hydroxy-3-methoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(2-hydroxy-3-methoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 79261367) has the molecular formula C8H15F3N2O3 and a molecular weight of 244.21 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID79261367
Molecular FormulaC8H15F3N2O3
Molecular Weight244.21 g/mol
Exact Mass244.10
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOCC(O)CNC(=O)CNCC(F)(F)F
InChIInChI=1S/C8H15F3N2O3/c1-16-4-6(14)2-13-7(15)3-12-5-8(9,10)11/h6,12,14H,2-5H2,1H3,(H,13,15)
InChIKeyREAKYLLCGHKVQP-UHFFFAOYSA-N
XLogP-0.74
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 79261367) is N-(2-hydroxy-3-methoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide is COCC(O)CNC(=O)CNCC(F)(F)F.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is REAKYLLCGHKVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O3/c1-16-4-6(14)2-13-7(15)3-12-5-8(9,10)11/h6,12,14H,2-5H2,1H3,(H,13,15).
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(2-hydroxy-3-methoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 244.21 g/mol, XLogP of -0.74, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 79261367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).