N-[2-(2-hydroxyethylamino)-2-oxoethyl]-2-methyl-2-[3-(trifluoromethyl)phenyl]propanamide

C15H19F3N2O3 — CID 71848431

IUPACN-[2-(2-hydroxyethylamino)-2-oxoethyl]-2-methyl-2-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)(C(=O)NCC(=O)NCCO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O3/c1-14(2,13(23)20-9-12(22)19-6-7-21)10-4-3-5-11(8-10)15(16,17)18/h3-5,8,21H,6-7,9H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyWUZKSQPTIZYYNH-UHFFFAOYSA-N
MW332.32 g/mol
LogP1.21
Rot. Bonds6

About N-[2-(2-hydroxyethylamino)-2-oxoethyl]-2-methyl-2-[3-(trifluoromethyl)phenyl]propanamide

N-[2-(2-hydroxyethylamino)-2-oxoethyl]-2-methyl-2-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 71848431) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is N-[2-(2-hydroxyethylamino)-2-oxoethyl]-2-methyl-2-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethylamino)-2-oxoethyl]-2-methyl-2-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID71848431
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC NameN-[2-(2-hydroxyethylamino)-2-oxoethyl]-2-methyl-2-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)(C(=O)NCC(=O)NCCO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O3/c1-14(2,13(23)20-9-12(22)19-6-7-21)10-4-3-5-11(8-10)15(16,17)18/h3-5,8,21H,6-7,9H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyWUZKSQPTIZYYNH-UHFFFAOYSA-N
XLogP1.21
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethylamino)-2-oxoethyl]-2-methyl-2-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[2-(2-hydroxyethylamino)-2-oxoethyl]-2-methyl-2-[3-(trifluoromethyl)phenyl]propanamide (CID 71848431) is N-[2-(2-hydroxyethylamino)-2-oxoethyl]-2-methyl-2-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[2-(2-hydroxyethylamino)-2-oxoethyl]-2-methyl-2-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[2-(2-hydroxyethylamino)-2-oxoethyl]-2-methyl-2-[3-(trifluoromethyl)phenyl]propanamide is CC(C)(C(=O)NCC(=O)NCCO)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(2-hydroxyethylamino)-2-oxoethyl]-2-methyl-2-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is WUZKSQPTIZYYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c1-14(2,13(23)20-9-12(22)19-6-7-21)10-4-3-5-11(8-10)15(16,17)18/h3-5,8,21H,6-7,9H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-(2-hydroxyethylamino)-2-oxoethyl]-2-methyl-2-[3-(trifluoromethyl)phenyl]propanamide?
N-[2-(2-hydroxyethylamino)-2-oxoethyl]-2-methyl-2-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 332.32 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethylamino)-2-oxoethyl]-2-methyl-2-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 71848431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).