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

C16H15NO3 — CID 880692

IUPACN-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCc1cccc(NC(=O)c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C16H15NO3/c1-11-3-2-4-13(9-11)17-16(18)12-5-6-14-15(10-12)20-8-7-19-14/h2-6,9-10H,7-8H2,1H3,(H,17,18)
InChIKeyUTNHAGIXKPKQKH-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.02
Rot. Bonds2

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

N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 880692) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID880692
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC NameN-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCc1cccc(NC(=O)c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C16H15NO3/c1-11-3-2-4-13(9-11)17-16(18)12-5-6-14-15(10-12)20-8-7-19-14/h2-6,9-10H,7-8H2,1H3,(H,17,18)
InChIKeyUTNHAGIXKPKQKH-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-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 880692) is N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is Cc1cccc(NC(=O)c2ccc3c(c2)OCCO3)c1.
What is the InChIKey of N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is UTNHAGIXKPKQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-11-3-2-4-13(9-11)17-16(18)12-5-6-14-15(10-12)20-8-7-19-14/h2-6,9-10H,7-8H2,1H3,(H,17,18).
What are the key properties of N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide 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-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 880692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).