N-(3-aminopropyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide

C9H18F2N2O2 — CID 82005349

IUPACN-(3-aminopropyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide
SMILESCN(CCCN)C(=O)CCOCC(F)F
InChIInChI=1S/C9H18F2N2O2/c1-13(5-2-4-12)9(14)3-6-15-7-8(10)11/h8H,2-7,12H2,1H3
InChIKeyZKZCQAOEYBOHNR-UHFFFAOYSA-N
MW224.25 g/mol
LogP0.47
Rot. Bonds8

About N-(3-aminopropyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide

N-(3-aminopropyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide (PubChem CID 82005349) has the molecular formula C9H18F2N2O2 and a molecular weight of 224.25 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide
PubChem CID82005349
Molecular FormulaC9H18F2N2O2
Molecular Weight224.25 g/mol
Exact Mass224.13
IUPAC NameN-(3-aminopropyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide
SMILESCN(CCCN)C(=O)CCOCC(F)F
InChIInChI=1S/C9H18F2N2O2/c1-13(5-2-4-12)9(14)3-6-15-7-8(10)11/h8H,2-7,12H2,1H3
InChIKeyZKZCQAOEYBOHNR-UHFFFAOYSA-N
XLogP0.47
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-aminopropyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide 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-(3-aminopropyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide?
The IUPAC name of N-(3-aminopropyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide (CID 82005349) is N-(3-aminopropyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide?
The canonical SMILES for N-(3-aminopropyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide is CN(CCCN)C(=O)CCOCC(F)F.
What is the InChIKey of N-(3-aminopropyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide?
The InChIKey is ZKZCQAOEYBOHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O2/c1-13(5-2-4-12)9(14)3-6-15-7-8(10)11/h8H,2-7,12H2,1H3.
What are the key properties of N-(3-aminopropyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide?
N-(3-aminopropyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide has a molecular weight of 224.25 g/mol, XLogP of 0.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide is sourced from PubChem (CID 82005349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).