2-(1,3-benzodioxol-5-yl)-N-(methylcarbamoyl)acetamide

C11H12N2O4 — CID 11770451

IUPAC2-(1,3-benzodioxol-5-yl)-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C11H12N2O4/c1-12-11(15)13-10(14)5-7-2-3-8-9(4-7)17-6-16-8/h2-4H,5-6H2,1H3,(H2,12,13,14,15)
InChIKeyYFASCMCWBCRLFT-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.41
Rot. Bonds2

About 2-(1,3-benzodioxol-5-yl)-N-(methylcarbamoyl)acetamide

2-(1,3-benzodioxol-5-yl)-N-(methylcarbamoyl)acetamide (PubChem CID 11770451) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-(methylcarbamoyl)acetamide
PubChem CID11770451
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C11H12N2O4/c1-12-11(15)13-10(14)5-7-2-3-8-9(4-7)17-6-16-8/h2-4H,5-6H2,1H3,(H2,12,13,14,15)
InChIKeyYFASCMCWBCRLFT-UHFFFAOYSA-N
XLogP0.41
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N',N'-dimethylacetohydrazide
CID 116847425
N-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide
CID 110767424
(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 26650360
2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]acetic acid
CID 82291803
2-(1,3-benzodioxol-5-yl)acetic acid;hydrochloride
CID 67706541
(2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 8531278
(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(methylcarbamoyl)propanamide
CID 8531273
2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide
CID 87044762
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(methylcarbamoyl)acetamide
CID 7457809
2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-3-methylbutanoic acid
CID 119348408
3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-propylpropanamide
CID 86822152
2-(1,3-benzodioxol-5-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110767410

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(methylcarbamoyl)acetamide (CID 11770451) is 2-(1,3-benzodioxol-5-yl)-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)Cc1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-(methylcarbamoyl)acetamide?
The InChIKey is YFASCMCWBCRLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-12-11(15)13-10(14)5-7-2-3-8-9(4-7)17-6-16-8/h2-4H,5-6H2,1H3,(H2,12,13,14,15).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-(methylcarbamoyl)acetamide?
2-(1,3-benzodioxol-5-yl)-N-(methylcarbamoyl)acetamide has a molecular weight of 236.23 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 11770451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).