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

C12H23F3N2O2 — CID 93371952

IUPAC(2S)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCC[C@H](N)C(=O)N(CCCOCC)CC(F)(F)F
InChIInChI=1S/C12H23F3N2O2/c1-3-6-10(16)11(18)17(9-12(13,14)15)7-5-8-19-4-2/h10H,3-9,16H2,1-2H3/t10-/m0/s1
InChIKeyLQKMQRPLZFEPPR-JTQLQIEISA-N
MW284.32 g/mol
LogP1.93
Rot. Bonds9

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

(2S)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 93371952) has the molecular formula C12H23F3N2O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID93371952
Molecular FormulaC12H23F3N2O2
Molecular Weight284.32 g/mol
Exact Mass284.17
IUPAC Name(2S)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCC[C@H](N)C(=O)N(CCCOCC)CC(F)(F)F
InChIInChI=1S/C12H23F3N2O2/c1-3-6-10(16)11(18)17(9-12(13,14)15)7-5-8-19-4-2/h10H,3-9,16H2,1-2H3/t10-/m0/s1
InChIKeyLQKMQRPLZFEPPR-JTQLQIEISA-N
XLogP1.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.93
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)-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide (CID 93371952) is (2S)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide is CCC[C@H](N)C(=O)N(CCCOCC)CC(F)(F)F.
What is the InChIKey of (2S)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is LQKMQRPLZFEPPR-JTQLQIEISA-N. The full InChI is InChI=1S/C12H23F3N2O2/c1-3-6-10(16)11(18)17(9-12(13,14)15)7-5-8-19-4-2/h10H,3-9,16H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide?
(2S)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 284.32 g/mol, XLogP of 1.93, 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)-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 93371952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).