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

C16H15NO4 — CID 2788369

IUPACN-(4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2COc3ccccc3O2)cc1
InChIInChI=1S/C16H15NO4/c1-19-12-8-6-11(7-9-12)17-16(18)15-10-20-13-4-2-3-5-14(13)21-15/h2-9,15H,10H2,1H3,(H,17,18)
InChIKeyIZJOMOXYSOKWMZ-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.47
Rot. Bonds3

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

N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 2788369) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID2788369
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC NameN-(4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2COc3ccccc3O2)cc1
InChIInChI=1S/C16H15NO4/c1-19-12-8-6-11(7-9-12)17-16(18)15-10-20-13-4-2-3-5-14(13)21-15/h2-9,15H,10H2,1H3,(H,17,18)
InChIKeyIZJOMOXYSOKWMZ-UHFFFAOYSA-N
XLogP2.47
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Diamfenetide
CID 37384
N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788350
N-(2-ethylphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788365
2,3-Dihydro-N-(2-methylphenyl)-1,4-benzodioxin-2-carboxamide
CID 2788358
N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788362
N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788363
N-(4-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2788382
N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788370
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)acetamide
CID 565773
N1-(4-{2-[4-(acetylamino)phenoxy]ethoxy}phenyl)acetamide
CID 1809594
N-(4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788330
Phenoxyacetanilide
CID 264248

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 2788369) is N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is COc1ccc(NC(=O)C2COc3ccccc3O2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is IZJOMOXYSOKWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-19-12-8-6-11(7-9-12)17-16(18)15-10-20-13-4-2-3-5-14(13)21-15/h2-9,15H,10H2,1H3,(H,17,18).
What are the key properties of N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 285.30 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 2788369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).