2-[(1-fluoro-2-methylpropyl)-methylamino]-N-methyl-N-(2-methylpropyl)acetamide

C12H25FN2O — CID 165035074

IUPAC2-[(1-fluoro-2-methylpropyl)-methylamino]-N-methyl-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C)C(=O)CN(C)C(F)C(C)C
InChIInChI=1S/C12H25FN2O/c1-9(2)7-14(5)11(16)8-15(6)12(13)10(3)4/h9-10,12H,7-8H2,1-6H3
InChIKeyHCZHGPFTLMLBQA-UHFFFAOYSA-N
MW232.34 g/mol
LogP1.98
Rot. Bonds6

About 2-[(1-fluoro-2-methylpropyl)-methylamino]-N-methyl-N-(2-methylpropyl)acetamide

2-[(1-fluoro-2-methylpropyl)-methylamino]-N-methyl-N-(2-methylpropyl)acetamide (PubChem CID 165035074) has the molecular formula C12H25FN2O and a molecular weight of 232.34 g/mol. Its IUPAC name is 2-[(1-fluoro-2-methylpropyl)-methylamino]-N-methyl-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(1-fluoro-2-methylpropyl)-methylamino]-N-methyl-N-(2-methylpropyl)acetamide
PubChem CID165035074
Molecular FormulaC12H25FN2O
Molecular Weight232.34 g/mol
Exact Mass232.20
IUPAC Name2-[(1-fluoro-2-methylpropyl)-methylamino]-N-methyl-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C)C(=O)CN(C)C(F)C(C)C
InChIInChI=1S/C12H25FN2O/c1-9(2)7-14(5)11(16)8-15(6)12(13)10(3)4/h9-10,12H,7-8H2,1-6H3
InChIKeyHCZHGPFTLMLBQA-UHFFFAOYSA-N
XLogP1.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-[(1-fluoro-2-methylpropyl)-methylamino]-N-methyl-N-(2-methylpropyl)acetamide 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 2-[(1-fluoro-2-methylpropyl)-methylamino]-N-methyl-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(1-fluoro-2-methylpropyl)-methylamino]-N-methyl-N-(2-methylpropyl)acetamide (CID 165035074) is 2-[(1-fluoro-2-methylpropyl)-methylamino]-N-methyl-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(1-fluoro-2-methylpropyl)-methylamino]-N-methyl-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(1-fluoro-2-methylpropyl)-methylamino]-N-methyl-N-(2-methylpropyl)acetamide is CC(C)CN(C)C(=O)CN(C)C(F)C(C)C.
What is the InChIKey of 2-[(1-fluoro-2-methylpropyl)-methylamino]-N-methyl-N-(2-methylpropyl)acetamide?
The InChIKey is HCZHGPFTLMLBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FN2O/c1-9(2)7-14(5)11(16)8-15(6)12(13)10(3)4/h9-10,12H,7-8H2,1-6H3.
What are the key properties of 2-[(1-fluoro-2-methylpropyl)-methylamino]-N-methyl-N-(2-methylpropyl)acetamide?
2-[(1-fluoro-2-methylpropyl)-methylamino]-N-methyl-N-(2-methylpropyl)acetamide has a molecular weight of 232.34 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-fluoro-2-methylpropyl)-methylamino]-N-methyl-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 165035074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).