N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C16H15NO4 — CID 3142819

IUPACN-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C16H15NO4/c1-19-13-4-2-3-12(10-13)17-16(18)11-5-6-14-15(9-11)21-8-7-20-14/h2-6,9-10H,7-8H2,1H3,(H,17,18)
InChIKeyCWCMZMIKEMFOOK-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.72
Rot. Bonds3

About N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 3142819) 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-6-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID3142819
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC NameN-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C16H15NO4/c1-19-13-4-2-3-12(10-13)17-16(18)11-5-6-14-15(9-11)21-8-7-20-14/h2-6,9-10H,7-8H2,1H3,(H,17,18)
InChIKeyCWCMZMIKEMFOOK-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 732526
3,4,5-Trimethoxybenzanilide
CID 305103
N-(4-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 321423
3-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-1-(4-methoxyphenyl)-1-propanone
CID 766936
4-methoxy-N-(3-methoxyphenyl)benzamide
CID 687087
N-(4-Ethoxyphenyl)-4-methoxybenzamide
CID 584690
2,3-Dihydro-N-methyl-N-[2-oxo-2-[(2,3,4-trifluorophenyl)amino]ethyl]-1,4-benzodioxin-6-carboxamide
CID 8001903
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-3-nitrobenzamide
CID 714125
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide
CID 739217
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-propoxybenzamide
CID 2173748
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide
CID 769398
N-(1,3-benzodioxol-5-yl)-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 2214195

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 3142819) is N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is COc1cccc(NC(=O)c2ccc3c(c2)OCCO3)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is CWCMZMIKEMFOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-19-13-4-2-3-12(10-13)17-16(18)11-5-6-14-15(9-11)21-8-7-20-14/h2-6,9-10H,7-8H2,1H3,(H,17,18).
What are the key properties of N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 285.30 g/mol, XLogP of 2.72, 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-6-carboxamide is sourced from PubChem (CID 3142819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).