2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)butanamide

C12H23F3N2O2 — CID 54871734

IUPAC2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C(N)C(C)C
InChIInChI=1S/C12H23F3N2O2/c1-4-19-7-5-6-17(8-12(13,14)15)11(18)10(16)9(2)3/h9-10H,4-8,16H2,1-3H3
InChIKeyZBFCGELAQFENRG-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.79
Rot. Bonds8

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

2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 54871734) has the molecular formula C12H23F3N2O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID54871734
Molecular FormulaC12H23F3N2O2
Molecular Weight284.32 g/mol
Exact Mass284.17
IUPAC Name2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C(N)C(C)C
InChIInChI=1S/C12H23F3N2O2/c1-4-19-7-5-6-17(8-12(13,14)15)11(18)10(16)9(2)3/h9-10H,4-8,16H2,1-3H3
InChIKeyZBFCGELAQFENRG-UHFFFAOYSA-N
XLogP1.79
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.79
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 2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)butanamide (CID 54871734) is 2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)butanamide is CCOCCCN(CC(F)(F)F)C(=O)C(N)C(C)C.
What is the InChIKey of 2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is ZBFCGELAQFENRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2/c1-4-19-7-5-6-17(8-12(13,14)15)11(18)10(16)9(2)3/h9-10H,4-8,16H2,1-3H3.
What are the key properties of 2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)butanamide?
2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 284.32 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 54871734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).