N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide

C16H15NO3 — CID 769398

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H15NO3/c1-11-4-2-3-5-13(11)16(18)17-12-6-7-14-15(10-12)20-9-8-19-14/h2-7,10H,8-9H2,1H3,(H,17,18)
InChIKeyQCZUTPXXEUABHM-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.02
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide (PubChem CID 769398) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide
PubChem CID769398
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H15NO3/c1-11-4-2-3-5-13(11)16(18)17-12-6-7-14-15(10-12)20-9-8-19-14/h2-7,10H,8-9H2,1H3,(H,17,18)
InChIKeyQCZUTPXXEUABHM-UHFFFAOYSA-N
XLogP3.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide (CID 769398) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide?
The InChIKey is QCZUTPXXEUABHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-11-4-2-3-5-13(11)16(18)17-12-6-7-14-15(10-12)20-9-8-19-14/h2-7,10H,8-9H2,1H3,(H,17,18).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide has a molecular weight of 269.30 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide is sourced from PubChem (CID 769398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).