2-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C17H17NO3 — CID 3145057

IUPAC2-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCc1ccc(NC(=O)C2Oc3ccccc3OC2C)cc1
InChIInChI=1S/C17H17NO3/c1-11-7-9-13(10-8-11)18-17(19)16-12(2)20-14-5-3-4-6-15(14)21-16/h3-10,12,16H,1-2H3,(H,18,19)
InChIKeyNHTBNCSLPSFDFZ-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.16
Rot. Bonds2

About 2-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

2-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 3145057) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID3145057
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCc1ccc(NC(=O)C2Oc3ccccc3OC2C)cc1
InChIInChI=1S/C17H17NO3/c1-11-7-9-13(10-8-11)18-17(19)16-12(2)20-14-5-3-4-6-15(14)21-16/h3-10,12,16H,1-2H3,(H,18,19)
InChIKeyNHTBNCSLPSFDFZ-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of 2-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 3145057) is 2-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is Cc1ccc(NC(=O)C2Oc3ccccc3OC2C)cc1.
What is the InChIKey of 2-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is NHTBNCSLPSFDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-11-7-9-13(10-8-11)18-17(19)16-12(2)20-14-5-3-4-6-15(14)21-16/h3-10,12,16H,1-2H3,(H,18,19).
What are the key properties of 2-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
2-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 3145057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).