N-(1,3-benzodioxol-5-yl)-2,4,6-trimethylbenzamide

C17H17NO3 — CID 112759099

IUPACN-(1,3-benzodioxol-5-yl)-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2ccc3c(c2)OCO3)c(C)c1
InChIInChI=1S/C17H17NO3/c1-10-6-11(2)16(12(3)7-10)17(19)18-13-4-5-14-15(8-13)21-9-20-14/h4-8H,9H2,1-3H3,(H,18,19)
InChIKeyLPYYRRBDZJPPFR-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.59
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-2,4,6-trimethylbenzamide

N-(1,3-benzodioxol-5-yl)-2,4,6-trimethylbenzamide (PubChem CID 112759099) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2,4,6-trimethylbenzamide
PubChem CID112759099
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2ccc3c(c2)OCO3)c(C)c1
InChIInChI=1S/C17H17NO3/c1-10-6-11(2)16(12(3)7-10)17(19)18-13-4-5-14-15(8-13)21-9-20-14/h4-8H,9H2,1-3H3,(H,18,19)
InChIKeyLPYYRRBDZJPPFR-UHFFFAOYSA-N
XLogP3.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-yl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109198757
N-(1,3-benzodioxol-5-yl)-2-hydroxy-5-methylbenzamide
CID 16573543
N-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 17439489
1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057160
2-amino-N-(1,3-benzodioxol-5-yl)-5-methylbenzamide
CID 62059841
N-(1,3-benzodioxol-5-yl)-2-methyl-1-benzofuran-3-carboxamide
CID 110703196
N-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 4078365
N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 19579239
N-(1,3-benzodioxol-5-yl)-3-hydroxy-2-methylbenzamide
CID 82786917
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dimethylfuran-3-carboxamide
CID 112521563
N-(1,3-benzodioxol-5-yl)-3,5-dimethoxy-4-methylbenzamide
CID 2640874
(Z)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dimethylphenyl)prop-2-enamide
CID 22301699

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2,4,6-trimethylbenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2,4,6-trimethylbenzamide (CID 112759099) is N-(1,3-benzodioxol-5-yl)-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2,4,6-trimethylbenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)Nc2ccc3c(c2)OCO3)c(C)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2,4,6-trimethylbenzamide?
The InChIKey is LPYYRRBDZJPPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-10-6-11(2)16(12(3)7-10)17(19)18-13-4-5-14-15(8-13)21-9-20-14/h4-8H,9H2,1-3H3,(H,18,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2,4,6-trimethylbenzamide?
N-(1,3-benzodioxol-5-yl)-2,4,6-trimethylbenzamide has a molecular weight of 283.33 g/mol, XLogP of 3.59, 2 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-yl)-2,4,6-trimethylbenzamide is sourced from PubChem (CID 112759099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).