3-amino-N-(2,2-difluoroethyl)-2-methoxy-N-methylpropanamide

C7H14F2N2O2 — CID 106113856

IUPAC3-amino-N-(2,2-difluoroethyl)-2-methoxy-N-methylpropanamide
SMILESCOC(CN)C(=O)N(C)CC(F)F
InChIInChI=1S/C7H14F2N2O2/c1-11(4-6(8)9)7(12)5(3-10)13-2/h5-6H,3-4,10H2,1-2H3
InChIKeySJCPLPKSJSMZAJ-UHFFFAOYSA-N
MW196.20 g/mol
LogP-0.32
Rot. Bonds5

About 3-amino-N-(2,2-difluoroethyl)-2-methoxy-N-methylpropanamide

3-amino-N-(2,2-difluoroethyl)-2-methoxy-N-methylpropanamide (PubChem CID 106113856) has the molecular formula C7H14F2N2O2 and a molecular weight of 196.20 g/mol. Its IUPAC name is 3-amino-N-(2,2-difluoroethyl)-2-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2,2-difluoroethyl)-2-methoxy-N-methylpropanamide
PubChem CID106113856
Molecular FormulaC7H14F2N2O2
Molecular Weight196.20 g/mol
Exact Mass196.10
IUPAC Name3-amino-N-(2,2-difluoroethyl)-2-methoxy-N-methylpropanamide
SMILESCOC(CN)C(=O)N(C)CC(F)F
InChIInChI=1S/C7H14F2N2O2/c1-11(4-6(8)9)7(12)5(3-10)13-2/h5-6H,3-4,10H2,1-2H3
InChIKeySJCPLPKSJSMZAJ-UHFFFAOYSA-N
XLogP-0.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-(2,2-difluoroethyl)-2-methoxy-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 3-amino-N-(2,2-difluoroethyl)-2-methoxy-N-methylpropanamide?
The IUPAC name of 3-amino-N-(2,2-difluoroethyl)-2-methoxy-N-methylpropanamide (CID 106113856) is 3-amino-N-(2,2-difluoroethyl)-2-methoxy-N-methylpropanamide.
What is the SMILES notation for 3-amino-N-(2,2-difluoroethyl)-2-methoxy-N-methylpropanamide?
The canonical SMILES for 3-amino-N-(2,2-difluoroethyl)-2-methoxy-N-methylpropanamide is COC(CN)C(=O)N(C)CC(F)F.
What is the InChIKey of 3-amino-N-(2,2-difluoroethyl)-2-methoxy-N-methylpropanamide?
The InChIKey is SJCPLPKSJSMZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O2/c1-11(4-6(8)9)7(12)5(3-10)13-2/h5-6H,3-4,10H2,1-2H3.
What are the key properties of 3-amino-N-(2,2-difluoroethyl)-2-methoxy-N-methylpropanamide?
3-amino-N-(2,2-difluoroethyl)-2-methoxy-N-methylpropanamide has a molecular weight of 196.20 g/mol, XLogP of -0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-difluoroethyl)-2-methoxy-N-methylpropanamide is sourced from PubChem (CID 106113856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).