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

C17H17NO3 — CID 110752792

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylbenzamide
SMILESCc1ccccc1C(=O)N(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H17NO3/c1-12-5-3-4-6-14(12)17(19)18(2)13-7-8-15-16(11-13)21-10-9-20-15/h3-8,11H,9-10H2,1-2H3
InChIKeyDMWAAAVAGHPQMI-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.04
Rot. Bonds2

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylbenzamide (PubChem CID 110752792) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylbenzamide
PubChem CID110752792
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylbenzamide
SMILESCc1ccccc1C(=O)N(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H17NO3/c1-12-5-3-4-6-14(12)17(19)18(2)13-7-8-15-16(11-13)21-10-9-20-15/h3-8,11H,9-10H2,1-2H3
InChIKeyDMWAAAVAGHPQMI-UHFFFAOYSA-N
XLogP3.04
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-(2-methylphenyl)propanamide
CID 110752841
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
CID 110752776
N,2-dimethyl-N-(4-methylphenyl)benzamide
CID 58207098
N,2-dimethyl-N-phenylbenzamide
CID 5222383
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-methylbenzamide
CID 113063038
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyridine-3-carboxamide
CID 110752821
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-methyloxamide
CID 115191645
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
CID 28794596
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-phenylpropanamide
CID 110752814
N-(4-cyanophenyl)-N,2-dimethylbenzamide
CID 62982757
N-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 60622208
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methylbenzamide
CID 113090578

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylbenzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylbenzamide (CID 110752792) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylbenzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylbenzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylbenzamide is Cc1ccccc1C(=O)N(C)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylbenzamide?
The InChIKey is DMWAAAVAGHPQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12-5-3-4-6-14(12)17(19)18(2)13-7-8-15-16(11-13)21-10-9-20-15/h3-8,11H,9-10H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylbenzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylbenzamide has a molecular weight of 283.33 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 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)-N,2-dimethylbenzamide is sourced from PubChem (CID 110752792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).