N-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-methylacetamide

C12H16N2O3 — CID 69228367

IUPACN-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-methylacetamide
SMILESCN(C)CC(=O)N(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C12H16N2O3/c1-13(2)7-12(15)14(3)9-4-5-10-11(6-9)17-8-16-10/h4-6H,7-8H2,1-3H3
InChIKeyLBJDXHPAKFIRHU-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.94
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-methylacetamide

N-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-methylacetamide (PubChem CID 69228367) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-methylacetamide
PubChem CID69228367
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-methylacetamide
SMILESCN(C)CC(=O)N(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C12H16N2O3/c1-13(2)7-12(15)14(3)9-4-5-10-11(6-9)17-8-16-10/h4-6H,7-8H2,1-3H3
InChIKeyLBJDXHPAKFIRHU-UHFFFAOYSA-N
XLogP0.94
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-N-methyl-2-sulfanylacetamide
CID 115167015
N-(1,3-benzodioxol-5-yl)-2-(ethylamino)-N-methylacetamide
CID 115157761
2-amino-4-[1,3-benzodioxol-5-yl(methyl)amino]-4-oxobutanoic acid
CID 115181007
N-(1,3-benzodioxol-5-yl)-N,2,2-trimethylpropanamide
CID 110752658
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-sulfanylpropanamide
CID 115167712
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
CID 28794596
1,3-bis(1,3-benzodioxol-5-yl)-1-methylurea
CID 167788947
3-[1,3-benzodioxol-5-yl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 115164184
2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylacetamide
CID 82496768
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-2-sulfanylacetamide
CID 115167016
4-[1,3-benzodioxol-5-yl(methyl)amino]-3-methyl-4-oxobutanoic acid
CID 115164520
N-(1,3-benzodioxol-5-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methylacetamide
CID 167803421

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-methylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-methylacetamide (CID 69228367) is N-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-methylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-methylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-methylacetamide is CN(C)CC(=O)N(C)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-methylacetamide?
The InChIKey is LBJDXHPAKFIRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-13(2)7-12(15)14(3)9-4-5-10-11(6-9)17-8-16-10/h4-6H,7-8H2,1-3H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-methylacetamide?
N-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-methylacetamide has a molecular weight of 236.27 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-methylacetamide is sourced from PubChem (CID 69228367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).