2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)phenyl]-N,N-dimethylacetamide

C19H22N2O3 — CID 71913478

IUPAC2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccccc1NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H22N2O3/c1-21(2)19(22)12-15-5-3-4-6-16(15)20-13-14-7-8-17-18(11-14)24-10-9-23-17/h3-8,11,20H,9-10,12-13H2,1-2H3
InChIKeyZHNWQUBRHUKQGS-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.70
Rot. Bonds5

About 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)phenyl]-N,N-dimethylacetamide

2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)phenyl]-N,N-dimethylacetamide (PubChem CID 71913478) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)phenyl]-N,N-dimethylacetamide
PubChem CID71913478
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccccc1NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H22N2O3/c1-21(2)19(22)12-15-5-3-4-6-16(15)20-13-14-7-8-17-18(11-14)24-10-9-23-17/h3-8,11,20H,9-10,12-13H2,1-2H3
InChIKeyZHNWQUBRHUKQGS-UHFFFAOYSA-N
XLogP2.70
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)benzene-1,2-diamine
CID 115124436
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-nitroaniline
CID 33106856
N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84556572
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(2-methylphenyl)acetamide
CID 34764151
1-(2-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)urea
CID 51168557
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-4-methylbenzoic acid
CID 17058365
N-(2-tert-butylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 7688641
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-ethylbutanamide
CID 47097422
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylacetamide
CID 18190703
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-methylpropanoic acid
CID 115127938
N,N-dimethyl-2-[2-[(2-nitrophenyl)methylamino]phenyl]acetamide
CID 71981770
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(2-hydroxyphenyl)propanamide
CID 31136988

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)phenyl]-N,N-dimethylacetamide (CID 71913478) is 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)phenyl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1ccccc1NCc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)phenyl]-N,N-dimethylacetamide?
The InChIKey is ZHNWQUBRHUKQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-21(2)19(22)12-15-5-3-4-6-16(15)20-13-14-7-8-17-18(11-14)24-10-9-23-17/h3-8,11,20H,9-10,12-13H2,1-2H3.
What are the key properties of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)phenyl]-N,N-dimethylacetamide?
2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)phenyl]-N,N-dimethylacetamide has a molecular weight of 326.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 71913478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).