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

C9H10N2O3 — CID 22690417

IUPAC2-amino-N-(1,3-benzodioxol-5-yl)acetamide
SMILESNCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C9H10N2O3/c10-4-9(12)11-6-1-2-7-8(3-6)14-5-13-7/h1-3H,4-5,10H2,(H,11,12)
InChIKeyWHPGBQBVYRZGGJ-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.31
Rot. Bonds2

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

2-amino-N-(1,3-benzodioxol-5-yl)acetamide (PubChem CID 22690417) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-amino-N-(1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(1,3-benzodioxol-5-yl)acetamide
PubChem CID22690417
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2-amino-N-(1,3-benzodioxol-5-yl)acetamide
SMILESNCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C9H10N2O3/c10-4-9(12)11-6-1-2-7-8(3-6)14-5-13-7/h1-3H,4-5,10H2,(H,11,12)
InChIKeyWHPGBQBVYRZGGJ-UHFFFAOYSA-N
XLogP0.31
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-1,3-benzodioxole-5-carboxamide
CID 39185578
N-(1,3-benzodioxol-5-yl)-2-methylsulfanylacetamide
CID 8700974
N-(1,3-benzodioxol-5-yl)-3,3-dimethylbutanamide
CID 803627
N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)acetamide
CID 110690742
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-triethylazanium
CID 2379667
2-[acetyl(methyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 39087396
3-(4-aminophenyl)-N-(1,3-benzodioxol-5-yl)propanamide
CID 28713210
N-(1,3-benzodioxol-5-yl)-2-hydrazinyl-2-oxoacetamide
CID 4774594
2-amino-N-[6-(1,3-benzodioxol-5-ylmethylamino)-3-pyridinyl]acetamide
CID 39179801
N-(1,3-benzodioxol-5-yl)-2-(4-iodoanilino)acetamide
CID 4806518
N-(1,3-benzodioxol-5-yl)-2-(dipropylamino)acetamide
CID 34599368
N-(1,3-benzodioxol-5-yl)nonanamide
CID 5213416

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of 2-amino-N-(1,3-benzodioxol-5-yl)acetamide (CID 22690417) is 2-amino-N-(1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2-amino-N-(1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for 2-amino-N-(1,3-benzodioxol-5-yl)acetamide is NCC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 2-amino-N-(1,3-benzodioxol-5-yl)acetamide?
The InChIKey is WHPGBQBVYRZGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c10-4-9(12)11-6-1-2-7-8(3-6)14-5-13-7/h1-3H,4-5,10H2,(H,11,12).
What are the key properties of 2-amino-N-(1,3-benzodioxol-5-yl)acetamide?
2-amino-N-(1,3-benzodioxol-5-yl)acetamide has a molecular weight of 194.19 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 22690417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).