N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(3-methylazetidin-3-yl)oxyacetamide

C15H20N2O4 — CID 102655770

IUPACN-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCC1(OCC(=O)Nc2ccc3c(c2)OC(C)(C)O3)CNC1
InChIInChI=1S/C15H20N2O4/c1-14(2)20-11-5-4-10(6-12(11)21-14)17-13(18)7-19-15(3)8-16-9-15/h4-6,16H,7-9H2,1-3H3,(H,17,18)
InChIKeySIUVJALJRCVCII-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.51
Rot. Bonds4

About N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(3-methylazetidin-3-yl)oxyacetamide

N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(3-methylazetidin-3-yl)oxyacetamide (PubChem CID 102655770) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(3-methylazetidin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
PubChem CID102655770
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCC1(OCC(=O)Nc2ccc3c(c2)OC(C)(C)O3)CNC1
InChIInChI=1S/C15H20N2O4/c1-14(2)20-11-5-4-10(6-12(11)21-14)17-13(18)7-19-15(3)8-16-9-15/h4-6,16H,7-9H2,1-3H3,(H,17,18)
InChIKeySIUVJALJRCVCII-UHFFFAOYSA-N
XLogP1.51
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamido-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611178
N-(3-bromophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 83066087
N-(3-fluoro-4-methoxyphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611096
2-(3-methylazetidin-3-yl)oxy-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 102611018
N-(3-ethylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102610774
N-(3-chloro-4-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655731
2-(3-methylazetidin-3-yl)oxy-N-(4-methyl-3-nitrophenyl)acetamide
CID 102610693
N-(3-chloro-4-ethoxyphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611203
N-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzamide
CID 102656067
N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611280
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(ethylamino)butanamide
CID 62838808
2-(3-methylazetidin-3-yl)oxy-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 102656577

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The IUPAC name of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(3-methylazetidin-3-yl)oxyacetamide (CID 102655770) is N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(3-methylazetidin-3-yl)oxyacetamide.
What is the SMILES notation for N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The canonical SMILES for N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(3-methylazetidin-3-yl)oxyacetamide is CC1(OCC(=O)Nc2ccc3c(c2)OC(C)(C)O3)CNC1.
What is the InChIKey of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The InChIKey is SIUVJALJRCVCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-14(2)20-11-5-4-10(6-12(11)21-14)17-13(18)7-19-15(3)8-16-9-15/h4-6,16H,7-9H2,1-3H3,(H,17,18).
What are the key properties of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(3-methylazetidin-3-yl)oxyacetamide?
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(3-methylazetidin-3-yl)oxyacetamide has a molecular weight of 292.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(3-methylazetidin-3-yl)oxyacetamide is sourced from PubChem (CID 102655770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).