3-amino-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-phenylpropanamide

C16H20F3N3O2 — CID 119784807

IUPAC3-amino-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-phenylpropanamide
SMILESCC(C(=O)NC1CCN(CC(F)(F)F)C1=O)C(N)c1ccccc1
InChIInChI=1S/C16H20F3N3O2/c1-10(13(20)11-5-3-2-4-6-11)14(23)21-12-7-8-22(15(12)24)9-16(17,18)19/h2-6,10,12-13H,7-9,20H2,1H3,(H,21,23)
InChIKeyKUHUXBJIXAFXFL-UHFFFAOYSA-N
MW343.35 g/mol
LogP1.60
Rot. Bonds5

About 3-amino-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-phenylpropanamide

3-amino-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-phenylpropanamide (PubChem CID 119784807) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-phenylpropanamide
PubChem CID119784807
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC Name3-amino-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-phenylpropanamide
SMILESCC(C(=O)NC1CCN(CC(F)(F)F)C1=O)C(N)c1ccccc1
InChIInChI=1S/C16H20F3N3O2/c1-10(13(20)11-5-3-2-4-6-11)14(23)21-12-7-8-22(15(12)24)9-16(17,18)19/h2-6,10,12-13H,7-9,20H2,1H3,(H,21,23)
InChIKeyKUHUXBJIXAFXFL-UHFFFAOYSA-N
XLogP1.60
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-phenylpropanamide?
The IUPAC name of 3-amino-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-phenylpropanamide (CID 119784807) is 3-amino-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-phenylpropanamide is CC(C(=O)NC1CCN(CC(F)(F)F)C1=O)C(N)c1ccccc1.
What is the InChIKey of 3-amino-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-phenylpropanamide?
The InChIKey is KUHUXBJIXAFXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c1-10(13(20)11-5-3-2-4-6-11)14(23)21-12-7-8-22(15(12)24)9-16(17,18)19/h2-6,10,12-13H,7-9,20H2,1H3,(H,21,23).
What are the key properties of 3-amino-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-phenylpropanamide?
3-amino-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-phenylpropanamide has a molecular weight of 343.35 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 119784807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).