(2S)-2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide

C13H25F3N2O2 — CID 61173930

IUPAC(2S)-2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)[C@@H](N)C(C)CC
InChIInChI=1S/C13H25F3N2O2/c1-4-10(3)11(17)12(19)18(9-13(14,15)16)7-6-8-20-5-2/h10-11H,4-9,17H2,1-3H3/t10?,11-/m0/s1
InChIKeySAWULSWGYZDGEI-DTIOYNMSSA-N
MW298.35 g/mol
LogP2.18
Rot. Bonds9

About (2S)-2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide

(2S)-2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 61173930) has the molecular formula C13H25F3N2O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID61173930
Molecular FormulaC13H25F3N2O2
Molecular Weight298.35 g/mol
Exact Mass298.19
IUPAC Name(2S)-2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)[C@@H](N)C(C)CC
InChIInChI=1S/C13H25F3N2O2/c1-4-10(3)11(17)12(19)18(9-13(14,15)16)7-6-8-20-5-2/h10-11H,4-9,17H2,1-3H3/t10?,11-/m0/s1
InChIKeySAWULSWGYZDGEI-DTIOYNMSSA-N
XLogP2.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide (CID 61173930) is (2S)-2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide is CCOCCCN(CC(F)(F)F)C(=O)[C@@H](N)C(C)CC.
What is the InChIKey of (2S)-2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is SAWULSWGYZDGEI-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H25F3N2O2/c1-4-10(3)11(17)12(19)18(9-13(14,15)16)7-6-8-20-5-2/h10-11H,4-9,17H2,1-3H3/t10?,11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
(2S)-2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 298.35 g/mol, XLogP of 2.18, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 61173930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).