N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide

C17H17NO3 — CID 670710

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1C
InChIInChI=1S/C17H17NO3/c1-11-3-5-14(7-12(11)2)17(19)18-9-13-4-6-15-16(8-13)21-10-20-15/h3-8H,9-10H2,1-2H3,(H,18,19)
InChIKeyFXWNJDJTPFUZHO-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.96
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide

N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide (PubChem CID 670710) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide
PubChem CID670710
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1C
InChIInChI=1S/C17H17NO3/c1-11-3-5-14(7-12(11)2)17(19)18-9-13-4-6-15-16(8-13)21-10-20-15/h3-8H,9-10H2,1-2H3,(H,18,19)
InChIKeyFXWNJDJTPFUZHO-UHFFFAOYSA-N
XLogP2.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxybenzamide
CID 670515
N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]methyl]benzamide
CID 171432416
N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide
CID 673797
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methoxy-4-methylbenzamide
CID 27761365
N-(1,3-benzodioxol-5-ylmethyl)-4-propylbenzamide
CID 2811298
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichlorobenzamide
CID 776037
N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 2240526
4-N-(1,3-benzodioxol-5-ylmethyl)-1-N-pentylbenzene-1,4-dicarboxamide
CID 109047459
N-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide
CID 109234600
N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethylfuran-2-carboxamide
CID 110697623
N-[[4-(hydroxymethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 107231683
1-N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 10110663

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide (CID 670710) is N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1C.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide?
The InChIKey is FXWNJDJTPFUZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-11-3-5-14(7-12(11)2)17(19)18-9-13-4-6-15-16(8-13)21-10-20-15/h3-8H,9-10H2,1-2H3,(H,18,19).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide?
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide has a molecular weight of 283.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide is sourced from PubChem (CID 670710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).