3-amino-N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide

C13H17F3N2O2 — CID 62876798

IUPAC3-amino-N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESNCC(C(=O)N(CCO)CC(F)(F)F)c1ccccc1
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)9-18(6-7-19)12(20)11(8-17)10-4-2-1-3-5-10/h1-5,11,19H,6-9,17H2
InChIKeyKYWIRCWUQPJFER-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.11
Rot. Bonds6

About 3-amino-N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide

3-amino-N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 62876798) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID62876798
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC Name3-amino-N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESNCC(C(=O)N(CCO)CC(F)(F)F)c1ccccc1
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)9-18(6-7-19)12(20)11(8-17)10-4-2-1-3-5-10/h1-5,11,19H,6-9,17H2
InChIKeyKYWIRCWUQPJFER-UHFFFAOYSA-N
XLogP1.11
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-amino-N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide (CID 62876798) is 3-amino-N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-amino-N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-amino-N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide is NCC(C(=O)N(CCO)CC(F)(F)F)c1ccccc1.
What is the InChIKey of 3-amino-N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is KYWIRCWUQPJFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c14-13(15,16)9-18(6-7-19)12(20)11(8-17)10-4-2-1-3-5-10/h1-5,11,19H,6-9,17H2.
What are the key properties of 3-amino-N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide?
3-amino-N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 290.28 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 62876798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).