N-(6-amino-1,3-benzodioxol-5-yl)-3,4-dimethylbenzamide

C16H16N2O3 — CID 43548296

IUPACN-(6-amino-1,3-benzodioxol-5-yl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2cc3c(cc2N)OCO3)cc1C
InChIInChI=1S/C16H16N2O3/c1-9-3-4-11(5-10(9)2)16(19)18-13-7-15-14(6-12(13)17)20-8-21-15/h3-7H,8,17H2,1-2H3,(H,18,19)
InChIKeyDIPCYJHIQUVJKK-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.87
Rot. Bonds2

About N-(6-amino-1,3-benzodioxol-5-yl)-3,4-dimethylbenzamide

N-(6-amino-1,3-benzodioxol-5-yl)-3,4-dimethylbenzamide (PubChem CID 43548296) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(6-amino-1,3-benzodioxol-5-yl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzodioxol-5-yl)-3,4-dimethylbenzamide
PubChem CID43548296
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC NameN-(6-amino-1,3-benzodioxol-5-yl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2cc3c(cc2N)OCO3)cc1C
InChIInChI=1S/C16H16N2O3/c1-9-3-4-11(5-10(9)2)16(19)18-13-7-15-14(6-12(13)17)20-8-21-15/h3-7H,8,17H2,1-2H3,(H,18,19)
InChIKeyDIPCYJHIQUVJKK-UHFFFAOYSA-N
XLogP2.87
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-5-iodothiophene-3-carboxamide
CID 79685249
N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-carboxamide
CID 43548279
N-(5-carbamoyl-2-methylphenyl)-1,3-benzodioxole-5-carboxamide
CID 23992808
N-(6-amino-1,3-benzodioxol-5-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 81483575
3-amino-4-[(3,4-dimethylbenzoyl)amino]benzoic acid
CID 63117351
N-(6-amino-1,3-benzodioxol-5-yl)-4-(tert-butylsulfamoyl)benzamide
CID 119618127
N-(6-amino-1,3-benzodioxol-5-yl)-4-[methyl(propyl)amino]benzamide;dihydrochloride
CID 119619117
N-(6-amino-2,3-dimethylphenyl)-1,3-benzodioxole-5-carboxamide
CID 43548108
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxybenzamide
CID 43548158
N-(6-amino-1,3-benzodioxol-5-yl)pyridine-3-carboxamide;dihydrochloride
CID 75415042
N-(6-amino-1,3-benzodioxol-5-yl)-4-(1,3-dithian-2-yl)benzamide;hydrochloride
CID 119618244
N-(6-amino-1,3-benzodioxol-5-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 119618699

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-3,4-dimethylbenzamide?
The IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-3,4-dimethylbenzamide (CID 43548296) is N-(6-amino-1,3-benzodioxol-5-yl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(6-amino-1,3-benzodioxol-5-yl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(6-amino-1,3-benzodioxol-5-yl)-3,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2cc3c(cc2N)OCO3)cc1C.
What is the InChIKey of N-(6-amino-1,3-benzodioxol-5-yl)-3,4-dimethylbenzamide?
The InChIKey is DIPCYJHIQUVJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-9-3-4-11(5-10(9)2)16(19)18-13-7-15-14(6-12(13)17)20-8-21-15/h3-7H,8,17H2,1-2H3,(H,18,19).
What are the key properties of N-(6-amino-1,3-benzodioxol-5-yl)-3,4-dimethylbenzamide?
N-(6-amino-1,3-benzodioxol-5-yl)-3,4-dimethylbenzamide has a molecular weight of 284.32 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzodioxol-5-yl)-3,4-dimethylbenzamide is sourced from PubChem (CID 43548296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).