N-(6-methyl-1,3-benzodioxol-5-yl)acetamide

C10H11NO3 — CID 71758655

IUPACN-(6-methyl-1,3-benzodioxol-5-yl)acetamide
SMILESCC(=O)Nc1cc2c(cc1C)OCO2
InChIInChI=1S/C10H11NO3/c1-6-3-9-10(14-5-13-9)4-8(6)11-7(2)12/h3-4H,5H2,1-2H3,(H,11,12)
InChIKeyAQEGZDFRJZQYSE-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.68
Rot. Bonds1

About N-(6-methyl-1,3-benzodioxol-5-yl)acetamide

N-(6-methyl-1,3-benzodioxol-5-yl)acetamide (PubChem CID 71758655) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzodioxol-5-yl)acetamide
PubChem CID71758655
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC NameN-(6-methyl-1,3-benzodioxol-5-yl)acetamide
SMILESCC(=O)Nc1cc2c(cc1C)OCO2
InChIInChI=1S/C10H11NO3/c1-6-3-9-10(14-5-13-9)4-8(6)11-7(2)12/h3-4H,5H2,1-2H3,(H,11,12)
InChIKeyAQEGZDFRJZQYSE-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-(2H-1,3-Benzodioxol-5-yl)-2-chloroacetamide
CID 735851
N-(2H-1,3-Benzodioxol-5-yl)acetamide
CID 98688
N-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanamide
CID 674577
N-(2H-1,3-benzodioxol-5-yl)benzamide
CID 823562
N-Phenyl-1,3-benzodioxole-5-methanamine
CID 408359
N-(3-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 669571
N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 785916
N-(1,3-benzodioxol-5-yl)cyclohexanecarboxamide
CID 823577
N-(1,3-benzodioxol-5-yl)-2-methoxyacetamide
CID 837107
1-(1,3-Benzodioxol-5-yl)-3-[4-(difluoromethoxy)-2-methylphenyl]urea
CID 969913
N-(1,3-benzodioxol-5-yl)-3-(4-methylphenoxy)propanamide
CID 2572085
N-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]acetamide
CID 6457936

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of N-(6-methyl-1,3-benzodioxol-5-yl)acetamide (CID 71758655) is N-(6-methyl-1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for N-(6-methyl-1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for N-(6-methyl-1,3-benzodioxol-5-yl)acetamide is CC(=O)Nc1cc2c(cc1C)OCO2.
What is the InChIKey of N-(6-methyl-1,3-benzodioxol-5-yl)acetamide?
The InChIKey is AQEGZDFRJZQYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-6-3-9-10(14-5-13-9)4-8(6)11-7(2)12/h3-4H,5H2,1-2H3,(H,11,12).
What are the key properties of N-(6-methyl-1,3-benzodioxol-5-yl)acetamide?
N-(6-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-(6-methyl-1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 71758655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).