N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C17H17NO3 — CID 2788363

IUPACN-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2COc3ccccc3O2)c1
InChIInChI=1S/C17H17NO3/c1-11-7-8-12(2)13(9-11)18-17(19)16-10-20-14-5-3-4-6-15(14)21-16/h3-9,16H,10H2,1-2H3,(H,18,19)
InChIKeyFQOFYBPLTZUEJC-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.08
Rot. Bonds2

About N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 2788363) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID2788363
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2COc3ccccc3O2)c1
InChIInChI=1S/C17H17NO3/c1-11-7-8-12(2)13(9-11)18-17(19)16-10-20-14-5-3-4-6-15(14)21-16/h3-9,16H,10H2,1-2H3,(H,18,19)
InChIKeyFQOFYBPLTZUEJC-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 2788363) is N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is Cc1ccc(C)c(NC(=O)C2COc3ccccc3O2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is FQOFYBPLTZUEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-11-7-8-12(2)13(9-11)18-17(19)16-10-20-14-5-3-4-6-15(14)21-16/h3-9,16H,10H2,1-2H3,(H,18,19).
What are the key properties of N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 2788363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).