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

C16H15NO4 — CID 2788350

IUPACN-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCOc1cccc(NC(=O)C2COc3ccccc3O2)c1
InChIInChI=1S/C16H15NO4/c1-19-12-6-4-5-11(9-12)17-16(18)15-10-20-13-7-2-3-8-14(13)21-15/h2-9,15H,10H2,1H3,(H,17,18)
InChIKeyZUKFSNIIUFBPOL-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.47
Rot. Bonds3

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

N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 2788350) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID2788350
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC NameN-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCOc1cccc(NC(=O)C2COc3ccccc3O2)c1
InChIInChI=1S/C16H15NO4/c1-19-12-6-4-5-11(9-12)17-16(18)15-10-20-13-7-2-3-8-14(13)21-15/h2-9,15H,10H2,1H3,(H,17,18)
InChIKeyZUKFSNIIUFBPOL-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

N-(2-ethylphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788365
N-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenoxy)acetamide
CID 835559
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-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788369
N-(4-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2788382
N-(3-methoxyphenyl)-2-phenoxyacetamide
CID 819750
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
N-(4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788330
N-(3,4-dimethoxyphenyl)oxolane-2-carboxamide
CID 2970691

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 2788350) is N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is COc1cccc(NC(=O)C2COc3ccccc3O2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is ZUKFSNIIUFBPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-19-12-6-4-5-11(9-12)17-16(18)15-10-20-13-7-2-3-8-14(13)21-15/h2-9,15H,10H2,1H3,(H,17,18).
What are the key properties of N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(3-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-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 2788350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).