2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]-N-[1-ethyl-3-methyl-3-(methylamino)cyclobutyl]acetamide

C17H22F2N2O4 — CID 145398566

IUPAC2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]-N-[1-ethyl-3-methyl-3-(methylamino)cyclobutyl]acetamide
SMILESCCC1(NC(=O)COc2ccc3c(c2)OC(F)(F)O3)CC(C)(NC)C1
InChIInChI=1S/C17H22F2N2O4/c1-4-16(9-15(2,10-16)20-3)21-14(22)8-23-11-5-6-12-13(7-11)25-17(18,19)24-12/h5-7,20H,4,8-10H2,1-3H3,(H,21,22)
InChIKeyTVFKUXFHMVNZNF-UHFFFAOYSA-N
MW356.37 g/mol
LogP2.42
Rot. Bonds6

About 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]-N-[1-ethyl-3-methyl-3-(methylamino)cyclobutyl]acetamide

2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]-N-[1-ethyl-3-methyl-3-(methylamino)cyclobutyl]acetamide (PubChem CID 145398566) has the molecular formula C17H22F2N2O4 and a molecular weight of 356.37 g/mol. Its IUPAC name is 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]-N-[1-ethyl-3-methyl-3-(methylamino)cyclobutyl]acetamide.

Molecular Properties

Compound Name2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]-N-[1-ethyl-3-methyl-3-(methylamino)cyclobutyl]acetamide
PubChem CID145398566
Molecular FormulaC17H22F2N2O4
Molecular Weight356.37 g/mol
Exact Mass356.15
IUPAC Name2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]-N-[1-ethyl-3-methyl-3-(methylamino)cyclobutyl]acetamide
SMILESCCC1(NC(=O)COc2ccc3c(c2)OC(F)(F)O3)CC(C)(NC)C1
InChIInChI=1S/C17H22F2N2O4/c1-4-16(9-15(2,10-16)20-3)21-14(22)8-23-11-5-6-12-13(7-11)25-17(18,19)24-12/h5-7,20H,4,8-10H2,1-3H3,(H,21,22)
InChIKeyTVFKUXFHMVNZNF-UHFFFAOYSA-N
XLogP2.42
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]-N-[1-ethyl-3-methyl-3-(methylamino)cyclobutyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-acetamido-1-bicyclo[1.1.1]pentanyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetamide
CID 175811413
[3-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]carbamic acid
CID 138610777
3-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetyl]amino]-N-[5-(trifluoromethoxy)-2-pyridinyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 154698458
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-fluorophenoxy)acetamide
CID 7817876
2-(3,4-dichlorophenoxy)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 7751375
N-[4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-2-bicyclo[2.1.1]hexanyl]-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetamide
CID 142585515
N-[4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetyl]amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
CID 155092836
N-[3-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetyl]amino]but-3-enyl]-2-(3,4-difluorophenoxy)acetamide
CID 138632388
N-[3-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-4-carboxamide
CID 159085178
2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]-N-[(2S)-2-hydroxy-4-[[2-(2-methoxypyrimidin-5-yl)oxyacetyl]amino]-1-bicyclo[3.1.1]hept-4-enyl]acetamide
CID 155303426
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7273738
2,2-difluoro-5-(oxetan-3-ylmethoxy)-1,3-benzodioxole
CID 167790526

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]-N-[1-ethyl-3-methyl-3-(methylamino)cyclobutyl]acetamide?
The IUPAC name of 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]-N-[1-ethyl-3-methyl-3-(methylamino)cyclobutyl]acetamide (CID 145398566) is 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]-N-[1-ethyl-3-methyl-3-(methylamino)cyclobutyl]acetamide.
What is the SMILES notation for 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]-N-[1-ethyl-3-methyl-3-(methylamino)cyclobutyl]acetamide?
The canonical SMILES for 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]-N-[1-ethyl-3-methyl-3-(methylamino)cyclobutyl]acetamide is CCC1(NC(=O)COc2ccc3c(c2)OC(F)(F)O3)CC(C)(NC)C1.
What is the InChIKey of 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]-N-[1-ethyl-3-methyl-3-(methylamino)cyclobutyl]acetamide?
The InChIKey is TVFKUXFHMVNZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O4/c1-4-16(9-15(2,10-16)20-3)21-14(22)8-23-11-5-6-12-13(7-11)25-17(18,19)24-12/h5-7,20H,4,8-10H2,1-3H3,(H,21,22).
What are the key properties of 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]-N-[1-ethyl-3-methyl-3-(methylamino)cyclobutyl]acetamide?
2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]-N-[1-ethyl-3-methyl-3-(methylamino)cyclobutyl]acetamide has a molecular weight of 356.37 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]-N-[1-ethyl-3-methyl-3-(methylamino)cyclobutyl]acetamide is sourced from PubChem (CID 145398566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).