3-[formyl(2,2,2-trifluoroethyl)amino]-2-hydroxy-N-(2-methylpropyl)butanamide

C11H19F3N2O3 — CID 134349474

IUPAC3-[formyl(2,2,2-trifluoroethyl)amino]-2-hydroxy-N-(2-methylpropyl)butanamide
SMILESCC(C)CNC(=O)C(O)C(C)N(C=O)CC(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-7(2)4-15-10(19)9(18)8(3)16(6-17)5-11(12,13)14/h6-9,18H,4-5H2,1-3H3,(H,15,19)
InChIKeyVBHGXMVCURDXLV-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.53
Rot. Bonds7

About 3-[formyl(2,2,2-trifluoroethyl)amino]-2-hydroxy-N-(2-methylpropyl)butanamide

3-[formyl(2,2,2-trifluoroethyl)amino]-2-hydroxy-N-(2-methylpropyl)butanamide (PubChem CID 134349474) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 3-[formyl(2,2,2-trifluoroethyl)amino]-2-hydroxy-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name3-[formyl(2,2,2-trifluoroethyl)amino]-2-hydroxy-N-(2-methylpropyl)butanamide
PubChem CID134349474
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name3-[formyl(2,2,2-trifluoroethyl)amino]-2-hydroxy-N-(2-methylpropyl)butanamide
SMILESCC(C)CNC(=O)C(O)C(C)N(C=O)CC(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-7(2)4-15-10(19)9(18)8(3)16(6-17)5-11(12,13)14/h6-9,18H,4-5H2,1-3H3,(H,15,19)
InChIKeyVBHGXMVCURDXLV-UHFFFAOYSA-N
XLogP0.53
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[formyl(2,2,2-trifluoroethyl)amino]-2-hydroxy-N-(2-methylpropyl)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-(tert-butylamino)-N-cyclopropyl-5,5-difluoro-2-hydroxypentanamide
CID 70857107
N-cyclopropyl-3-(ethylamino)-5,5-difluoro-2-hydroxypentanamide
CID 70871182
N-cyclopropyl-5,5-difluoro-2-hydroxy-3-(methylamino)pentanamide
CID 89671888
4-amino-3,3-difluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide
CID 123231332
N-(cyclohexylmethyl)-3-[formyl(2,2,2-trifluoroethyl)amino]-2-hydroxybutanamide
CID 134349524
N-(cyclopropylmethyl)-3-[(4,4-difluorocyclohexyl)-formylamino]-2-hydroxybutanamide
CID 134349634
2-hydroxy-N-(2-methylpropyl)-3-(2,2,2-trifluoroethylamino)butanamide
CID 134349745
N-(cyclopropylmethyl)-3-[(3,3-difluorocyclobutyl)-formylamino]-2-hydroxybutanamide
CID 134349746
N-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-3,3-difluorocyclobutane-1-carboxamide
CID 134349747
N-(cyclopropylmethyl)-3-[(4,4-difluorocyclohexyl)amino]-2-hydroxybutanamide
CID 139329211
3-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 55121010
N-butan-2-yl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanamide
CID 63901683

Frequently Asked Questions

What is the IUPAC name of 3-[formyl(2,2,2-trifluoroethyl)amino]-2-hydroxy-N-(2-methylpropyl)butanamide?
The IUPAC name of 3-[formyl(2,2,2-trifluoroethyl)amino]-2-hydroxy-N-(2-methylpropyl)butanamide (CID 134349474) is 3-[formyl(2,2,2-trifluoroethyl)amino]-2-hydroxy-N-(2-methylpropyl)butanamide.
What is the SMILES notation for 3-[formyl(2,2,2-trifluoroethyl)amino]-2-hydroxy-N-(2-methylpropyl)butanamide?
The canonical SMILES for 3-[formyl(2,2,2-trifluoroethyl)amino]-2-hydroxy-N-(2-methylpropyl)butanamide is CC(C)CNC(=O)C(O)C(C)N(C=O)CC(F)(F)F.
What is the InChIKey of 3-[formyl(2,2,2-trifluoroethyl)amino]-2-hydroxy-N-(2-methylpropyl)butanamide?
The InChIKey is VBHGXMVCURDXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-7(2)4-15-10(19)9(18)8(3)16(6-17)5-11(12,13)14/h6-9,18H,4-5H2,1-3H3,(H,15,19).
What are the key properties of 3-[formyl(2,2,2-trifluoroethyl)amino]-2-hydroxy-N-(2-methylpropyl)butanamide?
3-[formyl(2,2,2-trifluoroethyl)amino]-2-hydroxy-N-(2-methylpropyl)butanamide has a molecular weight of 284.28 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[formyl(2,2,2-trifluoroethyl)amino]-2-hydroxy-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 134349474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).