2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(2-methylbutan-2-yl)acetamide

C11H23F2N3O — CID 107494621

IUPAC2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN(CCN)CC(F)F
InChIInChI=1S/C11H23F2N3O/c1-4-11(2,3)15-10(17)8-16(6-5-14)7-9(12)13/h9H,4-8,14H2,1-3H3,(H,15,17)
InChIKeyNVCZTDICYNOEKN-UHFFFAOYSA-N
MW251.32 g/mol
LogP0.82
Rot. Bonds8

About 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(2-methylbutan-2-yl)acetamide

2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 107494621) has the molecular formula C11H23F2N3O and a molecular weight of 251.32 g/mol. Its IUPAC name is 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(2-methylbutan-2-yl)acetamide
PubChem CID107494621
Molecular FormulaC11H23F2N3O
Molecular Weight251.32 g/mol
Exact Mass251.18
IUPAC Name2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN(CCN)CC(F)F
InChIInChI=1S/C11H23F2N3O/c1-4-11(2,3)15-10(17)8-16(6-5-14)7-9(12)13/h9H,4-8,14H2,1-3H3,(H,15,17)
InChIKeyNVCZTDICYNOEKN-UHFFFAOYSA-N
XLogP0.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(2-methylbutan-2-yl)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-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(2-methylbutan-2-yl)acetamide (CID 107494621) is 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CN(CCN)CC(F)F.
What is the InChIKey of 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is NVCZTDICYNOEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2N3O/c1-4-11(2,3)15-10(17)8-16(6-5-14)7-9(12)13/h9H,4-8,14H2,1-3H3,(H,15,17).
What are the key properties of 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(2-methylbutan-2-yl)acetamide?
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 251.32 g/mol, XLogP of 0.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 107494621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).