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

C17H17NO3 — CID 2788362

IUPACN-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCc1ccc(NC(=O)C2COc3ccccc3O2)cc1C
InChIInChI=1S/C17H17NO3/c1-11-7-8-13(9-12(11)2)18-17(19)16-10-20-14-5-3-4-6-15(14)21-16/h3-9,16H,10H2,1-2H3,(H,18,19)
InChIKeyUGTIOJRZPYFQRC-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.08
Rot. Bonds2

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

N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 2788362) 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-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID2788362
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCc1ccc(NC(=O)C2COc3ccccc3O2)cc1C
InChIInChI=1S/C17H17NO3/c1-11-7-8-13(9-12(11)2)18-17(19)16-10-20-14-5-3-4-6-15(14)21-16/h3-9,16H,10H2,1-2H3,(H,18,19)
InChIKeyUGTIOJRZPYFQRC-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 846491
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 55750200
N-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4075154
N-(4-tert-butylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 19168010
(3S)-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 41000679
N'-(3,4-dimethylbenzoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 42888339
N-(4-bromo-3-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2957823
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 23731931
(3S)-N-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7096310
(3R)-N-(2-methyl-1,3-benzothiazol-6-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7096285
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 18160948
ethyl 2-chloro-5-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)benzoate
CID 132761823

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 2788362) is N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is Cc1ccc(NC(=O)C2COc3ccccc3O2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is UGTIOJRZPYFQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-11-7-8-13(9-12(11)2)18-17(19)16-10-20-14-5-3-4-6-15(14)21-16/h3-9,16H,10H2,1-2H3,(H,18,19).
What are the key properties of N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 3.08, 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-3-carboxamide is sourced from PubChem (CID 2788362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).