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

C13H25F3N2O2 — CID 107144494

IUPAC(2S)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)hexanamide
SMILESCCCC[C@H](N)C(=O)N(CCCOCC)CC(F)(F)F
InChIInChI=1S/C13H25F3N2O2/c1-3-5-7-11(17)12(19)18(10-13(14,15)16)8-6-9-20-4-2/h11H,3-10,17H2,1-2H3/t11-/m0/s1
InChIKeyHJLUZNZTIRQOBO-NSHDSACASA-N
MW298.35 g/mol
LogP2.32
Rot. Bonds10

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

(2S)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)hexanamide (PubChem CID 107144494) has the molecular formula C13H25F3N2O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)hexanamide
PubChem CID107144494
Molecular FormulaC13H25F3N2O2
Molecular Weight298.35 g/mol
Exact Mass298.19
IUPAC Name(2S)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)hexanamide
SMILESCCCC[C@H](N)C(=O)N(CCCOCC)CC(F)(F)F
InChIInChI=1S/C13H25F3N2O2/c1-3-5-7-11(17)12(19)18(10-13(14,15)16)8-6-9-20-4-2/h11H,3-10,17H2,1-2H3/t11-/m0/s1
InChIKeyHJLUZNZTIRQOBO-NSHDSACASA-N
XLogP2.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.32
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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Related Compounds

2-amino-N-(3-ethoxypropyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 62474145
2-(aminomethyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide
CID 65227540
2-amino-N-(2-ethoxyethyl)-N-ethylhexanamide
CID 63692347
(2S)-2-amino-N-(2-ethoxyethyl)-N-ethylhexanamide
CID 103831646
(2S)-2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide
CID 79024297
3-amino-N-(3-ethoxypropyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 65269422
2-(aminomethyl)-N-(3-ethoxypropyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 115432120
N-(3-ethoxypropyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide
CID 112687246
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopropanecarboxamide
CID 60766142
N-(3-ethoxypropyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 79204341
(2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide
CID 107144500
(2S)-2-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 61164133

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)hexanamide (CID 107144494) is (2S)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)hexanamide is CCCC[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)hexanamide?
The InChIKey is HJLUZNZTIRQOBO-NSHDSACASA-N. The full InChI is InChI=1S/C13H25F3N2O2/c1-3-5-7-11(17)12(19)18(10-13(14,15)16)8-6-9-20-4-2/h11H,3-10,17H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)hexanamide?
(2S)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)hexanamide has a molecular weight of 298.35 g/mol, XLogP of 2.32, 10 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)hexanamide is sourced from PubChem (CID 107144494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).