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

C16H15NO3 — CID 2788360

IUPACN-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCc1ccc(NC(=O)C2COc3ccccc3O2)cc1
InChIInChI=1S/C16H15NO3/c1-11-6-8-12(9-7-11)17-16(18)15-10-19-13-4-2-3-5-14(13)20-15/h2-9,15H,10H2,1H3,(H,17,18)
InChIKeyUBLZDAHYGWDBHC-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.77
Rot. Bonds2

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

N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 2788360) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID2788360
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC NameN-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCc1ccc(NC(=O)C2COc3ccccc3O2)cc1
InChIInChI=1S/C16H15NO3/c1-11-6-8-12(9-7-11)17-16(18)15-10-19-13-4-2-3-5-14(13)20-15/h2-9,15H,10H2,1H3,(H,17,18)
InChIKeyUBLZDAHYGWDBHC-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 2788360) is N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is Cc1ccc(NC(=O)C2COc3ccccc3O2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is UBLZDAHYGWDBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-11-6-8-12(9-7-11)17-16(18)15-10-19-13-4-2-3-5-14(13)20-15/h2-9,15H,10H2,1H3,(H,17,18).
What are the key properties of N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 2788360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).