N-(6-amino-1,3-benzodioxol-5-yl)-2-methoxyacetamide;hydrochloride

C10H13ClN2O4 — CID 119618394

IUPACN-(6-amino-1,3-benzodioxol-5-yl)-2-methoxyacetamide;hydrochloride
SMILESCOCC(=O)Nc1cc2c(cc1N)OCO2.Cl
InChIInChI=1S/C10H12N2O4.ClH/c1-14-4-10(13)12-7-3-9-8(2-6(7)11)15-5-16-9;/h2-3H,4-5,11H2,1H3,(H,12,13);1H
InChIKeyFRBZBSJCSBRTCC-UHFFFAOYSA-N
MW260.68 g/mol
LogP1.00
Rot. Bonds3

About N-(6-amino-1,3-benzodioxol-5-yl)-2-methoxyacetamide;hydrochloride

N-(6-amino-1,3-benzodioxol-5-yl)-2-methoxyacetamide;hydrochloride (PubChem CID 119618394) has the molecular formula C10H13ClN2O4 and a molecular weight of 260.68 g/mol. Its IUPAC name is N-(6-amino-1,3-benzodioxol-5-yl)-2-methoxyacetamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-1,3-benzodioxol-5-yl)-2-methoxyacetamide;hydrochloride
PubChem CID119618394
Molecular FormulaC10H13ClN2O4
Molecular Weight260.68 g/mol
Exact Mass260.06
IUPAC NameN-(6-amino-1,3-benzodioxol-5-yl)-2-methoxyacetamide;hydrochloride
SMILESCOCC(=O)Nc1cc2c(cc1N)OCO2.Cl
InChIInChI=1S/C10H12N2O4.ClH/c1-14-4-10(13)12-7-3-9-8(2-6(7)11)15-5-16-9;/h2-3H,4-5,11H2,1H3,(H,12,13);1H
InChIKeyFRBZBSJCSBRTCC-UHFFFAOYSA-N
XLogP1.00
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(6-amino-1,3-benzodioxol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119618694
N-(6-amino-1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 119618793
N-(6-amino-1,3-benzodioxol-5-yl)-N',N'-diethylpentanediamide;hydrochloride
CID 119618173
N-(6-amino-1,3-benzodioxol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119618257
N-(6-amino-1,3-benzodioxol-5-yl)-N',N'-dipropylpentanediamide;hydrochloride
CID 119619071
N-(6-amino-1,3-benzodioxol-5-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide;hydrochloride
CID 119618728
N-(6-amino-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)butanamide;hydrochloride
CID 119618654
N-(6-amino-1,3-benzodioxol-5-yl)-2-propylsulfanylacetamide
CID 119618391
N-(6-amino-1,3-benzodioxol-5-yl)-4-[4-(2-methoxyethyl)phenoxy]butanamide;hydrochloride
CID 119618195
N-(6-amino-1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride
CID 119618647
N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949183
N-(6-amino-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)butanamide
CID 119617986

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-2-methoxyacetamide;hydrochloride?
The IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-2-methoxyacetamide;hydrochloride (CID 119618394) is N-(6-amino-1,3-benzodioxol-5-yl)-2-methoxyacetamide;hydrochloride.
What is the SMILES notation for N-(6-amino-1,3-benzodioxol-5-yl)-2-methoxyacetamide;hydrochloride?
The canonical SMILES for N-(6-amino-1,3-benzodioxol-5-yl)-2-methoxyacetamide;hydrochloride is COCC(=O)Nc1cc2c(cc1N)OCO2.Cl.
What is the InChIKey of N-(6-amino-1,3-benzodioxol-5-yl)-2-methoxyacetamide;hydrochloride?
The InChIKey is FRBZBSJCSBRTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4.ClH/c1-14-4-10(13)12-7-3-9-8(2-6(7)11)15-5-16-9;/h2-3H,4-5,11H2,1H3,(H,12,13);1H.
What are the key properties of N-(6-amino-1,3-benzodioxol-5-yl)-2-methoxyacetamide;hydrochloride?
N-(6-amino-1,3-benzodioxol-5-yl)-2-methoxyacetamide;hydrochloride has a molecular weight of 260.68 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzodioxol-5-yl)-2-methoxyacetamide;hydrochloride is sourced from PubChem (CID 119618394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).