2-[acetyl(methyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide

C12H14N2O4 — CID 39087396

IUPAC2-[acetyl(methyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
SMILESCC(=O)N(C)CC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C12H14N2O4/c1-8(15)14(2)6-12(16)13-9-3-4-10-11(5-9)18-7-17-10/h3-5H,6-7H2,1-2H3,(H,13,16)
InChIKeyZBSPVSAXHSDXGW-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.83
Rot. Bonds3

About 2-[acetyl(methyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide

2-[acetyl(methyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide (PubChem CID 39087396) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
PubChem CID39087396
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-[acetyl(methyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
SMILESCC(=O)N(C)CC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C12H14N2O4/c1-8(15)14(2)6-12(16)13-9-3-4-10-11(5-9)18-7-17-10/h3-5H,6-7H2,1-2H3,(H,13,16)
InChIKeyZBSPVSAXHSDXGW-UHFFFAOYSA-N
XLogP0.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[acetyl(methyl)amino]-N-(1,3-benzodioxol-5-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

Related Compounds

2-[acetyl(tert-butyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113166222
2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 2594208
2-[acetyl(cycloheptyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113166420
2-[acetyl(2-methylpropyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113158977
2-(N-acetyl-2-fluoroanilino)-N-(1,3-benzodioxol-5-yl)acetamide
CID 113170871
N-(1,3-benzodioxol-5-yl)-2-(dipropylamino)acetamide
CID 34599368
2-(N-acetyl-4-ethylanilino)-N-(1,3-benzodioxol-5-yl)acetamide
CID 113169371
2-amino-N-(1,3-benzodioxol-5-yl)acetamide
CID 22690417
2-(N-acetyl-2-methoxyanilino)-N-(1,3-benzodioxol-5-yl)acetamide
CID 113173267
N-(1,3-benzodioxol-5-yl)-3,3-dimethylbutanamide
CID 803627
N-(1,3-benzodioxol-5-yl)-2-methylsulfanylacetamide
CID 8700974
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-[4-(dimethylamino)phenyl]acetamide
CID 113178353

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of 2-[acetyl(methyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide (CID 39087396) is 2-[acetyl(methyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2-[acetyl(methyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for 2-[acetyl(methyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide is CC(=O)N(C)CC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 2-[acetyl(methyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide?
The InChIKey is ZBSPVSAXHSDXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-8(15)14(2)6-12(16)13-9-3-4-10-11(5-9)18-7-17-10/h3-5H,6-7H2,1-2H3,(H,13,16).
What are the key properties of 2-[acetyl(methyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide?
2-[acetyl(methyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide has a molecular weight of 250.25 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 39087396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).