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

C13H25F3N2O2 — CID 61162805

IUPAC(2S,3S)-2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)[C@@H](N)[C@@H](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-QWRGUYRKSA-N
MW298.35 g/mol
LogP2.18
Rot. Bonds9

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

(2S,3S)-2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 61162805) has the molecular formula C13H25F3N2O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID61162805
Molecular FormulaC13H25F3N2O2
Molecular Weight298.35 g/mol
Exact Mass298.19
IUPAC Name(2S,3S)-2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)[C@@H](N)[C@@H](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-QWRGUYRKSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of (2S,3S)-2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide (CID 61162805) is (2S,3S)-2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for (2S,3S)-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@@H](C)CC.
What is the InChIKey of (2S,3S)-2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is SAWULSWGYZDGEI-QWRGUYRKSA-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,3S)-2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
(2S,3S)-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,3S)-2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 61162805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).