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

C17H17NO3 — CID 774927

IUPACN-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1C
InChIInChI=1S/C17H17NO3/c1-11-3-5-14(9-12(11)2)18-17(19)13-4-6-15-16(10-13)21-8-7-20-15/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)
InChIKeyRYTKKLGQNUHBNL-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.33
Rot. Bonds2

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

N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 774927) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID774927
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1C
InChIInChI=1S/C17H17NO3/c1-11-3-5-14(9-12(11)2)18-17(19)13-4-6-15-16(10-13)21-8-7-20-15/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)
InChIKeyRYTKKLGQNUHBNL-UHFFFAOYSA-N
XLogP3.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 774927) is N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is Cc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is RYTKKLGQNUHBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-11-3-5-14(9-12(11)2)18-17(19)13-4-6-15-16(10-13)21-8-7-20-15/h3-6,9-10H,7-8H2,1-2H3,(H,18,19).
What are the key properties of N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 774927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).