3-methoxy-2,2-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]propanamide

C11H16F3N3O2 — CID 136560350

IUPAC3-methoxy-2,2-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]propanamide
SMILESCOCC(C)(C)C(=O)NCc1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C11H16F3N3O2/c1-10(2,6-19-3)9(18)16-5-8-15-4-7(17-8)11(12,13)14/h4H,5-6H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyAIJWLAYJBZZYRE-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.72
Rot. Bonds5

About 3-methoxy-2,2-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]propanamide

3-methoxy-2,2-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]propanamide (PubChem CID 136560350) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 3-methoxy-2,2-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-methoxy-2,2-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]propanamide
PubChem CID136560350
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name3-methoxy-2,2-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]propanamide
SMILESCOCC(C)(C)C(=O)NCc1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C11H16F3N3O2/c1-10(2,6-19-3)9(18)16-5-8-15-4-7(17-8)11(12,13)14/h4H,5-6H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyAIJWLAYJBZZYRE-UHFFFAOYSA-N
XLogP1.72
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-2,2-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]propanamide 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 3-methoxy-2,2-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]propanamide?
The IUPAC name of 3-methoxy-2,2-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]propanamide (CID 136560350) is 3-methoxy-2,2-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]propanamide.
What is the SMILES notation for 3-methoxy-2,2-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]propanamide?
The canonical SMILES for 3-methoxy-2,2-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]propanamide is COCC(C)(C)C(=O)NCc1ncc(C(F)(F)F)[nH]1.
What is the InChIKey of 3-methoxy-2,2-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]propanamide?
The InChIKey is AIJWLAYJBZZYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-10(2,6-19-3)9(18)16-5-8-15-4-7(17-8)11(12,13)14/h4H,5-6H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of 3-methoxy-2,2-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]propanamide?
3-methoxy-2,2-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]propanamide has a molecular weight of 279.26 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,2-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]propanamide is sourced from PubChem (CID 136560350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).