N-methyl-3-(2-methylpropoxy)-N-(3,3,3-trifluoropropyl)propanamide

C11H20F3NO2 — CID 86833627

IUPACN-methyl-3-(2-methylpropoxy)-N-(3,3,3-trifluoropropyl)propanamide
SMILESCC(C)COCCC(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-9(2)8-17-7-4-10(16)15(3)6-5-11(12,13)14/h9H,4-8H2,1-3H3
InChIKeySVDHVIJZDMBZTK-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.46
Rot. Bonds7

About N-methyl-3-(2-methylpropoxy)-N-(3,3,3-trifluoropropyl)propanamide

N-methyl-3-(2-methylpropoxy)-N-(3,3,3-trifluoropropyl)propanamide (PubChem CID 86833627) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-methyl-3-(2-methylpropoxy)-N-(3,3,3-trifluoropropyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(2-methylpropoxy)-N-(3,3,3-trifluoropropyl)propanamide
PubChem CID86833627
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC NameN-methyl-3-(2-methylpropoxy)-N-(3,3,3-trifluoropropyl)propanamide
SMILESCC(C)COCCC(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-9(2)8-17-7-4-10(16)15(3)6-5-11(12,13)14/h9H,4-8H2,1-3H3
InChIKeySVDHVIJZDMBZTK-UHFFFAOYSA-N
XLogP2.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-3-(2-methylpropoxy)-N-(3,3,3-trifluoropropyl)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 N-methyl-3-(2-methylpropoxy)-N-(3,3,3-trifluoropropyl)propanamide?
The IUPAC name of N-methyl-3-(2-methylpropoxy)-N-(3,3,3-trifluoropropyl)propanamide (CID 86833627) is N-methyl-3-(2-methylpropoxy)-N-(3,3,3-trifluoropropyl)propanamide.
What is the SMILES notation for N-methyl-3-(2-methylpropoxy)-N-(3,3,3-trifluoropropyl)propanamide?
The canonical SMILES for N-methyl-3-(2-methylpropoxy)-N-(3,3,3-trifluoropropyl)propanamide is CC(C)COCCC(=O)N(C)CCC(F)(F)F.
What is the InChIKey of N-methyl-3-(2-methylpropoxy)-N-(3,3,3-trifluoropropyl)propanamide?
The InChIKey is SVDHVIJZDMBZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-9(2)8-17-7-4-10(16)15(3)6-5-11(12,13)14/h9H,4-8H2,1-3H3.
What are the key properties of N-methyl-3-(2-methylpropoxy)-N-(3,3,3-trifluoropropyl)propanamide?
N-methyl-3-(2-methylpropoxy)-N-(3,3,3-trifluoropropyl)propanamide has a molecular weight of 255.28 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylpropoxy)-N-(3,3,3-trifluoropropyl)propanamide is sourced from PubChem (CID 86833627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).