(2S)-N-(4-hydroxybutyl)-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide

C11H21F3N2O2 — CID 126822721

IUPAC(2S)-N-(4-hydroxybutyl)-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide
SMILESCC(C)[C@H](NCC(F)(F)F)C(=O)NCCCCO
InChIInChI=1S/C11H21F3N2O2/c1-8(2)9(16-7-11(12,13)14)10(18)15-5-3-4-6-17/h8-9,16-17H,3-7H2,1-2H3,(H,15,18)/t9-/m0/s1
InChIKeyFBOMVOXWRGCYMT-VIFPVBQESA-N
MW270.30 g/mol
LogP1.05
Rot. Bonds8

About (2S)-N-(4-hydroxybutyl)-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide

(2S)-N-(4-hydroxybutyl)-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide (PubChem CID 126822721) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.30 g/mol. Its IUPAC name is (2S)-N-(4-hydroxybutyl)-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide.

Molecular Properties

Compound Name(2S)-N-(4-hydroxybutyl)-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide
PubChem CID126822721
Molecular FormulaC11H21F3N2O2
Molecular Weight270.30 g/mol
Exact Mass270.16
IUPAC Name(2S)-N-(4-hydroxybutyl)-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide
SMILESCC(C)[C@H](NCC(F)(F)F)C(=O)NCCCCO
InChIInChI=1S/C11H21F3N2O2/c1-8(2)9(16-7-11(12,13)14)10(18)15-5-3-4-6-17/h8-9,16-17H,3-7H2,1-2H3,(H,15,18)/t9-/m0/s1
InChIKeyFBOMVOXWRGCYMT-VIFPVBQESA-N
XLogP1.05
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-N-(4-hydroxybutyl)-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,3-trifluoro-N-(6-hydroxyhexyl)-2-(trifluoromethyl)propanamide
CID 107844083
2-(carbamoylamino)-N-(4-hydroxybutyl)-3-methylbutanamide
CID 106843387
3-methyl-2-(2,2,2-trifluoroethylamino)butanoic acid;hydrochloride
CID 138109921
(2S)-2-(2-aminoethylamino)-N-[4-[[(2S)-2-(2-aminoethylamino)-3-methylbutanoyl]amino]butyl]-3-methylbutanamide
CID 101373817
3-amino-N-(6-hydroxyhexyl)-2-methylbutanamide
CID 107842431
(2R)-2-amino-N-(4-hydroxybutyl)propanamide
CID 106842086
(2S)-N-[[4-(ethoxymethyl)phenyl]methyl]-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide
CID 95636315
2-cyano-N-(4-hydroxybutyl)-3-methylbutanamide
CID 106842207
2-(4-hydroxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 106841650
4,4,4-trifluoro-N-(5-hydroxypentyl)butanamide
CID 107318831
2,2,3,3-tetrafluoro-N-(4-hydroxybutyl)propanamide
CID 107168274
6-amino-N-(4-hydroxybutyl)-2-methylheptanamide
CID 106841939

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-hydroxybutyl)-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide?
The IUPAC name of (2S)-N-(4-hydroxybutyl)-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide (CID 126822721) is (2S)-N-(4-hydroxybutyl)-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide.
What is the SMILES notation for (2S)-N-(4-hydroxybutyl)-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide?
The canonical SMILES for (2S)-N-(4-hydroxybutyl)-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide is CC(C)[C@H](NCC(F)(F)F)C(=O)NCCCCO.
What is the InChIKey of (2S)-N-(4-hydroxybutyl)-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide?
The InChIKey is FBOMVOXWRGCYMT-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-8(2)9(16-7-11(12,13)14)10(18)15-5-3-4-6-17/h8-9,16-17H,3-7H2,1-2H3,(H,15,18)/t9-/m0/s1.
What are the key properties of (2S)-N-(4-hydroxybutyl)-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide?
(2S)-N-(4-hydroxybutyl)-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide has a molecular weight of 270.30 g/mol, XLogP of 1.05, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-hydroxybutyl)-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide is sourced from PubChem (CID 126822721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).