N-(2-hydroxyethyl)-4-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)butanamide

C11H21F3N2O2 — CID 54874871

IUPACN-(2-hydroxyethyl)-4-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)NCCCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-9(2)15-5-3-4-10(18)16(6-7-17)8-11(12,13)14/h9,15,17H,3-8H2,1-2H3
InChIKeyBQWJZWKFDSVNKQ-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.15
Rot. Bonds8

About N-(2-hydroxyethyl)-4-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)butanamide

N-(2-hydroxyethyl)-4-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 54874871) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID54874871
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC NameN-(2-hydroxyethyl)-4-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)NCCCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-9(2)15-5-3-4-10(18)16(6-7-17)8-11(12,13)14/h9,15,17H,3-8H2,1-2H3
InChIKeyBQWJZWKFDSVNKQ-UHFFFAOYSA-N
XLogP1.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-hydroxyethyl)-4-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)butanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of N-(2-hydroxyethyl)-4-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)butanamide (CID 54874871) is N-(2-hydroxyethyl)-4-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)butanamide is CC(C)NCCCC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-4-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is BQWJZWKFDSVNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-9(2)15-5-3-4-10(18)16(6-7-17)8-11(12,13)14/h9,15,17H,3-8H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-4-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)butanamide?
N-(2-hydroxyethyl)-4-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 270.29 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 54874871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).