N-(7-methyl-1,3-benzodioxol-5-yl)acetamide

C10H11NO3 — CID 59429949

IUPACN-(7-methyl-1,3-benzodioxol-5-yl)acetamide
SMILESCC(=O)Nc1cc(C)c2c(c1)OCO2
InChIInChI=1S/C10H11NO3/c1-6-3-8(11-7(2)12)4-9-10(6)14-5-13-9/h3-4H,5H2,1-2H3,(H,11,12)
InChIKeyVGVNPRLHJBQJGS-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.68
Rot. Bonds1

About N-(7-methyl-1,3-benzodioxol-5-yl)acetamide

N-(7-methyl-1,3-benzodioxol-5-yl)acetamide (PubChem CID 59429949) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is N-(7-methyl-1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound NameN-(7-methyl-1,3-benzodioxol-5-yl)acetamide
PubChem CID59429949
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC NameN-(7-methyl-1,3-benzodioxol-5-yl)acetamide
SMILESCC(=O)Nc1cc(C)c2c(c1)OCO2
InChIInChI=1S/C10H11NO3/c1-6-3-8(11-7(2)12)4-9-10(6)14-5-13-9/h3-4H,5H2,1-2H3,(H,11,12)
InChIKeyVGVNPRLHJBQJGS-UHFFFAOYSA-N
XLogP1.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(7-formyl-1,3-benzodioxol-5-yl)acetamide
CID 84779325
4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzodioxol-5-yl)benzamide
CID 20630819
4-fluoro-N-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide
CID 3457663
3-(7-methyl-1,3-benzodioxol-5-yl)prop-2-enoic acid
CID 123758547
(6-methyl-1,3-benzodioxol-4-yl) acetate
CID 59796488
N-(3,5-diacetamidophenyl)acetamide
CID 12731559
N-(3-acetamidophenyl)-2-(1,3-benzodioxol-4-yl)acetamide
CID 110861232
N-(1,3-benzodioxol-5-yl)-2,4,6-trimethylbenzamide
CID 112759099
1-(6,7-dimethyl-1,3-benzodioxol-5-yl)propan-2-one
CID 117294702
N-(6-oxo-7,8-dihydrocyclopenta[g][1,3]benzodioxol-5-yl)acetamide
CID 166490529
N-(8-formyl-4H-1,3-benzodioxin-6-yl)acetamide
CID 84787737
N-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide
CID 110767424

Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of N-(7-methyl-1,3-benzodioxol-5-yl)acetamide (CID 59429949) is N-(7-methyl-1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for N-(7-methyl-1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for N-(7-methyl-1,3-benzodioxol-5-yl)acetamide is CC(=O)Nc1cc(C)c2c(c1)OCO2.
What is the InChIKey of N-(7-methyl-1,3-benzodioxol-5-yl)acetamide?
The InChIKey is VGVNPRLHJBQJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-6-3-8(11-7(2)12)4-9-10(6)14-5-13-9/h3-4H,5H2,1-2H3,(H,11,12).
What are the key properties of N-(7-methyl-1,3-benzodioxol-5-yl)acetamide?
N-(7-methyl-1,3-benzodioxol-5-yl)acetamide has a molecular weight of 193.20 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 59429949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).