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

C17H17NO3 — CID 2788365

IUPACN-(2-ethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCCc1ccccc1NC(=O)C1COc2ccccc2O1
InChIInChI=1S/C17H17NO3/c1-2-12-7-3-4-8-13(12)18-17(19)16-11-20-14-9-5-6-10-15(14)21-16/h3-10,16H,2,11H2,1H3,(H,18,19)
InChIKeyOXTFYZVSHLJBLB-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.03
Rot. Bonds3

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

N-(2-ethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 2788365) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID2788365
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-(2-ethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCCc1ccccc1NC(=O)C1COc2ccccc2O1
InChIInChI=1S/C17H17NO3/c1-2-12-7-3-4-8-13(12)18-17(19)16-11-20-14-9-5-6-10-15(14)21-16/h3-10,16H,2,11H2,1H3,(H,18,19)
InChIKeyOXTFYZVSHLJBLB-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 2788365) is N-(2-ethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is CCc1ccccc1NC(=O)C1COc2ccccc2O1.
What is the InChIKey of N-(2-ethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is OXTFYZVSHLJBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-2-12-7-3-4-8-13(12)18-17(19)16-11-20-14-9-5-6-10-15(14)21-16/h3-10,16H,2,11H2,1H3,(H,18,19).
What are the key properties of N-(2-ethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(2-ethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 2788365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).