(2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide

C13H25F3N2O2 — CID 61162806

IUPAC(2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C13H25F3N2O2/c1-5-20-8-6-7-18(9-13(14,15)16)11(19)10(17)12(2,3)4/h10H,5-9,17H2,1-4H3/t10-/m1/s1
InChIKeyVYTZIXMHNYFICA-SNVBAGLBSA-N
MW298.35 g/mol
LogP2.18
Rot. Bonds7

About (2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide

(2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 61162806) has the molecular formula C13H25F3N2O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID61162806
Molecular FormulaC13H25F3N2O2
Molecular Weight298.35 g/mol
Exact Mass298.19
IUPAC Name(2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C13H25F3N2O2/c1-5-20-8-6-7-18(9-13(14,15)16)11(19)10(17)12(2,3)4/h10H,5-9,17H2,1-4H3/t10-/m1/s1
InChIKeyVYTZIXMHNYFICA-SNVBAGLBSA-N
XLogP2.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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)-2-amino-N-(3-ethoxypropyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of (2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide (CID 61162806) is (2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide is CCOCCCN(CC(F)(F)F)C(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is VYTZIXMHNYFICA-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H25F3N2O2/c1-5-20-8-6-7-18(9-13(14,15)16)11(19)10(17)12(2,3)4/h10H,5-9,17H2,1-4H3/t10-/m1/s1.
What are the key properties of (2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide?
(2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 298.35 g/mol, XLogP of 2.18, 7 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)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 61162806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).